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• 3,5-Dimethoxybenzaldehyde
IUPAC Name: 3,5-dimethoxybenzaldehyde | CAS Registry Number: 7311-34-4
Synonyms: Benzaldehyde, 3,5-dimethoxy-, ghl.PD_Mitscher_leg0.694, Benzaldehyde, 3,5-dimiethoxy, 126292_ALDRICH, NSC62667, EINECS 230-772-6, ZINC01081074, ST5308029, TL8005086, InChI=1/C9H10O3/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-6H,1-2H

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: VFZRZRDOXPRTSC-UHFFFAOYSA-N

• 4 - Bromobenzaldehyde
IUPAC Name: 4-bromobenzaldehyde | CAS Registry Number: 1122-91-4
Synonyms: 4-Bromobenzaldehyde, p-Bromobenzaldehyde, Benzaldehyde, 4-bromo-, Benzaldehyde, p-bromo-, nchembio.149-comp26, BENZALDEHYDE,4-BROMO, B57400_ALDRICH, EINECS 214-365-0, NSC 21638, NSC21638, SBB007609, ZINC00039555, LS-24929, AB-131/40654019, InChI=1/C7H5BrO/c8-7-3-1-6(5-9)2-4-7/h1-5

Molecular Formula: C7H5BrOMolecular Weight: 185.018000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZRYZBQLXDKPBDU-UHFFFAOYSA-N

• 4(N N-Dimethylamine)Pyridine
IUPAC Name: N,N-dimethylpyridin-4-amine | CAS Registry Number: 1122-58-3
Synonyms: dmap, 4-Dimethylaminopyridine, p-Dimethylaminopyridine, 4-(Dimethylamino)pyridine, 4-Pyridinamine, N,N-dimethyl-, Pyridine, 4-(dimethylamino)-, N,N-Dimethylpyridin-4-amine, gamma-(Dimethylamino)pyridine, CCRIS 6176, N,N-DIMETHYL-4-PYRIDINAMINE, 107700_ALDRICH, 522805_ALDRICH, 522821_ALDRICH, 4-DIMETHYLAMINO PYRIDINE, 39405_FLUKA, EINECS 214-353-5, BRN 0110354, N,N-dimethyl-N-(4-pyridinyl)amine, SBB008765, LS-131426

Molecular Formula: C7H10N2Molecular Weight: 122.167700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VHYFNPMBLIVWCW-UHFFFAOYSA-N

• 1,1,1,3,3,3-Hexamethyldisilazane
IUPAC Name: [dimethyl-(trimethylsilylamino)silyl]methane | CAS Registry Number: 999-97-3
Synonyms: Hexamethyldisilazane, Hexamethylsilazane, HMDS, Tri-Sil, Silazane HMN, Bis(trimethylsilyl)amine, HEXAMETHYLSIDILIZANE, Lithium hexamethyldisilazane, N-Lithiohexamethyldisilazane, DISILAZANE,HEXAMETHYL, CCRIS 2456, HSDB 7226, Disilazane, 1,1,1,3,3,3-hexamethyl-, Bis(trimethylsilyl)amidolithium, Dow Corning product Z-6079, Lithiumbis(trimethylsilyl)amine, 379212_ALDRICH, 40215_RIEDEL, 440191_ALDRICH, Bis(trimethylsilyl)amido lithium

Molecular Formula: C6H19NSi2Molecular Weight: 161.392760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FFUAGWLWBBFQJT-UHFFFAOYSA-N

• 1,2,4 Triazole
IUPAC Name: 1H-1,2,4-triazole | CAS Registry Number: 288-88-0
Synonyms: s-Triazole, 1H-1,2,4-Triazole, 1,2,4-TRIAZOLE, 4H-1,2,4-triazole, 1H-1.2.4-Triazole, MET1075A_SUPELCO, T46108_ALDRICH, 4H-1,2,4-Triazole (VAN), C2H3N3, CHEBI:35550, CHEBI:46077, EINECS 206-022-9, NSC 83128, AIDS023082, AIDS-023082, NSC83128, ZINC04897205, AI3-51031, DB03594, LS-155746

Molecular Formula: C2H3N3Molecular Weight: 69.065320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NSPMIYGKQJPBQR-UHFFFAOYSA-N

• 5-Amino-tetrazole mono-hydrate
IUPAC Name: 2H-tetrazol-5-amine | CAS Registry Number: 4418-61-5
Synonyms: 5-Aminotetrazole, Aminotetrazole, 1H-Tetrazol-5-amine, Tetrazol-5-ylamine, 1H-Tetrazole, 5-amino-, 5-AMINO-1H-TETRAZOLE, 5-Amino-1,2,3,4-tetrazole, 550728_ALDRICH, NSC 3004, EINECS 224-581-7, NSC3004, AIDS020354, AIDS-020354, SBB004398, AI3-23021, LS-149081, TL8003081, EU-0000391, 167101-82-8, 29212-86-0

Molecular Formula: CH3N5Molecular Weight: 85.068020 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: ULRPISSMEBPJLN-UHFFFAOYSA-N

• 2 5-Dimethyl Hexane-2 5-Diol
IUPAC Name: 2,5-dimethylhexane-2,5-diol | CAS Registry Number: 110-03-2
Synonyms: Dimethylhexanediol, 2,5-Hexanediol, 2,5-dimethyl-, 2,5-Dimethylhexanediol, 2,5-Dimethylhexane-2,5-diol, MLS001055396, 2,5-DIMETHYL-2,5-HEXANEDIOL, 1,1,4,4-Tetramethyl-1,4-butanediol, 143618_ALDRICH, HSDB 5395, NSC5595, NSC 5595, EINECS 203-731-5, ZINC02504411, NCGC00090935-01, SMR000677933, 2,5-DIHYDROXY-2,5-DIMETHYLHEXANE, AI3-20685

Molecular Formula: C8H18O2Molecular Weight: 146.227320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZWNMRZQYWRLGMM-UHFFFAOYSA-N

• 2-Hydroxymethylpyridine
IUPAC Name: pyridin-2-ylmethanol | CAS Registry Number: 586-98-1
Synonyms: 2-Pyridinylmethanol, 2-Pyridylcarbinol, 2-Pyridylmethanol, 2-PYRIDINEMETHANOL, Piconolum [Latin], Piconol [INN], Pyridine-2-carbinol, alpha-Picolyl alcohol, 2-Pyridyl carbinol, pyridin-2-ylmethanol, 2-(Hydroxymethyl)pyridine, .alpha.-Picolyl alcohol, omega-Hydroxy-2-picoline, P66602_ALDRICH, 55770_FLUKA, EINECS 209-592-7, BRN 0107849, SBB004348, ZINC00158585, NCGC00166075-01

Molecular Formula: C6H7NOMolecular Weight: 109.125880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SHNUBALDGXWUJI-UHFFFAOYSA-N

• 4-Pyridine Carboxamide
IUPAC Name: pyridine-4-carboxamide | CAS Registry Number: 1453-82-3
Synonyms: Isonicotinamide, Isonicotineamide, 4-PYRIDINECARBOXAMIDE, Isonicotinic acid amide, 4-Carbamoylpyridine, pyridine-4-carboxamide, Isonicotinate amide, 4PyrCON, gamma-Pyridinecarboxamide, Pyridine-4-carboxylic acid amide, .gamma.-Pyridinecarboxamide, I17451_ALDRICH, CHEBI:6031, EINECS 215-926-2, AIDS008958, AIDS-008958, CID15074, NSC82353, BRN 0002173, c1173

Molecular Formula: C6H6N2OMolecular Weight: 122.124640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VFQXVTODMYMSMJ-UHFFFAOYSA-N

• 5-Chloro-2-Methyl Benzoxazol
IUPAC Name: 5-chloro-2-methyl-1,3-benzoxazole | CAS Registry Number: 19219-99-9
Synonyms: 5-Chloro-2-methylbenzoxazole, BENZOXAZOLE, 5-CHLORO-2-METHYL-, EINECS 242-888-4, NSC 26192, NSC26192, BRN 0120800, ZINC00395561, LS-42167, ST5405147, 2-27-00-00020 (Beilstein Handbook Reference), InChI=1/C8H6ClNO/c1-5-10-7-4-6(9)2-3-8(7)11-5/h2-4H,1H

Molecular Formula: C8H6ClNOMolecular Weight: 167.592340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HJCIGAUHTJBHBQ-UHFFFAOYSA-N

• 4-Chloro-3-Sulfamoyl Benzoic Acid
IUPAC Name: 4-chloro-3-sulfamoylbenzoic acid | CAS Registry Number: 1205-30-7
Synonyms: CSBA, 4-Chloro-3-sulfamoylbenzoic acid, Sulfamido-3-chlorobenzoic acid, Oprea1_356117, 4-Chloro-5-sulphamoylbenzoic acid, 293598_ALDRICH, EINECS 214-882-1, CID14568, BRN 2118346, Benzoic acid, 3-(aminosulfonyl)-4-chloro-, BENZOIC ACID, 4-CHLORO-3-SULFAMOYL-, LS-36653, TL806358, ST5319885

Molecular Formula: C7H6ClNO4SMolecular Weight: 235.644840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: FHQAWINGVCDTTG-UHFFFAOYSA-N

• 4-Hydroxybenzoic Acid
IUPAC Name: 4-hydroxybenzoic acid | CAS Registry Number: 99-96-7
Synonyms: p-Hydroxybenzoic acid, 4-Carboxyphenol, p-Salicylic acid, 4-HYDROXYBENZOIC ACID, p-hydroxybenzoate, Paraben, 4-hydroxybenzoate, Benzoic acid, 4-hydroxy-, Benzoic acid, p-hydroxy-, 3pcc, 3pch, 4-Hydroxybenzoesaeure, Hydroxybenzoic acid, phenol derivative, 8, p-Oxybenzoesaure [German], Benzoic acid, p-hydroxy, Benzoic acid, 4-hydroxy, WLN: QVR DQ, CID135, Hydroxybenzenecarboxylic acid

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FJKROLUGYXJWQN-UHFFFAOYSA-N

• 1-Naphthoic Acid
IUPAC Name: naphthalene-1-carboxylic acid | CAS Registry Number: 86-55-5
Synonyms: 1-NAPHTHOIC ACID, 1-Carboxynaphthalene, alpha-Naphthoic acid, Carboxynaphthalene, 1-Naphthalenecarboxylic acid, NAPHTHOIC ACID, Naphthalenecarboxylic acid, .alpha.-Naphthoic acid, alpha-Naphthylcarboxylic acid, N1909_ALDRICH, naphthalene-1-carboxylic acid, Naphthalene-alpha-carboxylic acid, 70389_FLUKA, 70390_FLUKA, CHEBI:36466, EINECS 201-681-9, NSC 37569, AIDS034420, AIDS-034420, NSC37569

Molecular Formula: C11H8O2Molecular Weight: 172.180020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LNETULKMXZVUST-UHFFFAOYSA-N

• 2-Mercaptopropionic Acid
IUPAC Name: 2-sulfanylpropanoic acid | CAS Registry Number: 79-42-5
Synonyms: Thiolactic acid, 2-Thiolactic acid, 2-Mercaptopropanoic acid, 2-Thiolpropionic acid, 2-Mercaptopropionic acid, alpha-Mercaptopropanoic acid, alpha-Mercaptopropionic acid, 2-Sulfanylpropanoic acid, Propionic acid, 2-mercapto-, FEMA No. 3180, T31003_ALDRICH, W318000_ALDRICH, CHEBI:47872, EINECS 201-206-5, PROPANOIC ACID, 2-MERCAPTO-, UN2936, CID62326, BRN 0506218, Thiolactic acid [UN2936] [Poison], LS-2894

Molecular Formula: C3H6O2SMolecular Weight: 106.143540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: PMNLUUOXGOOLSP-UHFFFAOYSA-N

• 2,2-Dichlorodiethyl Ether
IUPAC Name: 1-chloro-2-(2-chloroethoxy)ethane | CAS Registry Number: 111-44-4
Synonyms: Dichloroether, Khloreks, Chlorex, Clorex, Chloroethyl ether, 2-Chloroethyl ether, Dichloroethyl ether, Dichloroethyl oxide, Ether dichlore, Bis(2-chloroethyl)ether, DCEE, Dicholoroethyl ether, sym-Dichloroethyl ether, BCEE, s-Dichloroethyl ether, 2,2'-Dichlorethyl ether, Caswell No. 309, Bis-2-chloroethylether, Di(2-chloroethyl) ether, BIS(2-CHLOROETHYL) ETHER

Molecular Formula: C4H8Cl2OMolecular Weight: 143.011720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZNSMNVMLTJELDZ-UHFFFAOYSA-N

• 3,5-Diiodosalicylic Acid
IUPAC Name: 2-hydroxy-3,5-diiodobenzoic acid | CAS Registry Number: 133-91-5
Synonyms: 3,5-Diiodosalicylate, 2-Hydroxy-3,5-diiodobenzoic acid, Salicylic acid, 3,5-diiodo-, 3,5-DIIODOSALICYLIC ACID, DIIODOSALICYLIC ACID, 3,5-Diiodo-2-hydroxybenzoic acid, 2-Hydroxy-3,5-diiodobenzoate, Benzoic acid, 2-hydroxy-3,5-diiodo-, WLN: QVR BQ CI EI, D124001_ALDRICH, NSC6303, NSC 6303, EINECS 205-124-0, CID8631, AIDS018052, AIDS-018052, Benzoic acid, 3,5-diiodo-2-hydroxy-, 2-Hydroxy-3,5-diiodobenzenecarboxylic acid, BRN 2615358, STK301498

Molecular Formula: C7H4I2O3Molecular Weight: 389.913800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: DHZVWQPHNWDCFS-UHFFFAOYSA-N

• 1-Chlorodiethyl carbonate
IUPAC Name: 1-chloroethyl ethyl carbonate | CAS Registry Number: 50893-36-2
Synonyms: 1-Chloroethyl ethyl carbonate, 23030_FLUKA, EINECS 256-832-1, Carbonic acid, 1-chloroethyl ethyl ester

Molecular Formula: C5H9ClO3Molecular Weight: 152.576160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YVRGKFXJZCTTRB-UHFFFAOYSA-N

• 3-Bromoaniline
IUPAC Name: 3-bromoaniline | CAS Registry Number: 591-19-5
Synonyms: m-Bromoaniline, Aniline, m-bromo-, 3-BROMOANILINE, Benzenamine, 3-bromo-, m-Aminobromobenzene, 3-Bromobenzenamine, Aniline, m-bromo- (8CI), 180025_ALDRICH, 16210_FLUKA, EINECS 209-704-4, NSC 10298, NSC10298, BRN 0742028, ZINC03861310, LS-28107, ST5213806, TL8003774, 4-12-00-01491 (Beilstein Handbook Reference), InChI=1/C6H6BrN/c7-5-2-1-3-6(8)4-5/h1-4H,8H

Molecular Formula: C6H6BrNMolecular Weight: 172.022540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DHYHYLGCQVVLOQ-UHFFFAOYSA-N

• 4-Anisic Aldehyde
IUPAC Name: 4-methoxybenzaldehyde | CAS Registry Number: 123-11-5
Synonyms: Anisaldehyde, P-ANISALDEHYDE, 4-Methoxybenzaldehyde, Crategine, Aubepine, Obepin, Anisic aldehyde, p-Formylanisole, 4-Anisaldehyde, p-Anisic aldehyde, Benzaldehyde, 4-methoxy-, Methoxybenzaldehyde, p-Methoxybenzaldehyde, Formylanisole, p-, Aub+ pine, Benzaldehyde, methoxy-, Anisaldehyde solution, Caswell No. 051E, nchembio.150-comp52, SRA1_SIAL

Molecular Formula: C8H8O2Molecular Weight: 136.147920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: ZRSNZINYAWTAHE-UHFFFAOYSA-N

• 1-Decanol
IUPAC Name: decan-1-ol | CAS Registry Number: 112-30-1
Synonyms: n-Decanol, 1-DECANOL, n-Decyl alcohol, Decyl alcohol, Nonylcarbinol, Capric alcohol, Caprinic alcohol, Royaltac, Decanol, Antak, Decan-1-ol, n-Nonylcarbinol, n-Decatyl alcohol, n-Decan-1-ol, 1-Hydroxydecane, Sprout-Off, Alcohol C-10, Contak, Delete, Decylic alcohol

Molecular Formula: C10H22OMolecular Weight: 158.281080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: MWKFXSUHUHTGQN-UHFFFAOYSA-N

• 2,4,6-Trimethylaniline
IUPAC Name: 2,4,6-trimethylaniline | CAS Registry Number: 88-05-1
Synonyms: Mesidine, Aminomesitylene, Mesitylamine, Mesidin, 2-Aminomesitylene, Mesidin [Czech], Mesitylene, 2-amino-, Aniline, 2,4,6-trimethyl-, 2,4,6-TRIMETHYLANILINE, Benzenamine, 2,4,6-trimethyl-, 2,4,6-Trimethylbenzenamine, CCRIS 2871, HSDB 2694, 2-Amino-1,3,5-trimethylbenzene, 132179_ALDRICH, 92290_FLUKA, EINECS 201-794-3, ZINC01555241, 1-Amino-2,4,6-trimethylbenzen [Czech], LS-20005

Molecular Formula: C9H13NMolecular Weight: 135.206220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KWVPRPSXBZNOHS-UHFFFAOYSA-N

• 2-Methyl-5-Ethyl Pyridine
IUPAC Name: 5-ethyl-2-methylpyridine | CAS Registry Number: 104-90-5
Synonyms: Aldehydkollidin, Aldehydine, 5-Ethyl-2-methylpyridine, Aldehydecollidine, 5-Ethyl-2-picoline, 2-Picoline, 5-ethyl-, 2,5-Aldehydine, Pyridine, 5-ethyl-2-methyl-, 3-Ethyl-6-methylpyridine, 5-Ethyl-alpha-picoline, 6-Methyl-3-ethylpyridine, Methyl ethyl pyridine, Collidine, aldehydecollidine, MEP (VAN), 5-Ethyl-.alpha.-picoline, 2-METHYL-5-ETHYLPYRIDINE, FEMA No. 3546, HSDB 5137, W354600_ALDRICH, WLN: T6NJ B1 E2

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NTSLROIKFLNUIJ-UHFFFAOYSA-N

• 2-Amino-4,5-Dimethoxy-Benzoic Acid
IUPAC Name: 2-amino-4,5-dimethoxybenzoic acid | CAS Registry Number: 5653-40-7
Synonyms: 6-Aminoveratric acid, 2-Amino-4,5-dimethoxybenzoic acid, 4,5-Dimethoxyanthranilic acid, 252042_ALDRICH, EINECS 227-095-3, SBB007800, FR-0358, Benzoic acid, 2-amino-4,5-dimethoxy-, TL8003658, InChI=1/C9H11NO4/c1-13-7-3-5(9(11)12)6(10)4-8(7)14-2/h3-4H,10H2,1-2H3,(H,11,12

Molecular Formula: C9H11NO4Molecular Weight: 197.187940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: HJVAVGOPTDJYOJ-UHFFFAOYSA-N

• 3-Amino-2-Chloropyridine
IUPAC Name: 2-chloropyridin-3-amine | CAS Registry Number: 6298-19-7
Synonyms: 3-Amino-2-chloropyridine, 3-Pyridinamine, 2-chloro-, 2-Chloro-3-pyridinamine, 2-Chloro-3-pyridylamine, 2-Chloro-3-aminopyridine, A46900_ALDRICH, Pyridine, 2-chloro-3-amino-, Pyridine, 3-amino-2-chloro-, 07540_FLUKA, NSC45407, EINECS 228-572-9, SBB004233, ZINC00164466, A104, TL8004343, InChI=1/C5H5ClN2/c6-5-4(7)2-1-3-8-5/h1-3H,7H

Molecular Formula: C5H5ClN2Molecular Weight: 128.559600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MEQBJJUWDCYIAB-UHFFFAOYSA-N

• 2-Chloroquinoxaline
IUPAC Name: 2-chloroquinoxaline | CAS Registry Number: 1448-87-9
Synonyms: 2-CHLOROQUINOXALINE, Quinoxaline, 2-chloro-, 136301_ALDRICH, NSC43553, CID238938

Molecular Formula: C8H5ClN2Molecular Weight: 164.591700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BYHVGQHIAFURIL-UHFFFAOYSA-N

• 2-Hydroxy-4-Methoxy Benzophenone
IUPAC Name: (2-hydroxy-4-methoxyphenyl)-phenylmethanone | CAS Registry Number: 131-57-7
Synonyms: oxybenzone, Oxybenzon, Benzophenone-3, Anuvex, Oxibenzonum, Solaquin, DuraScreen, Chimassorb 90, Uvinul 9, Advastab 45, Ongrostab HMB, Solbar, Syntase 62, Uvistat 24, Cyasorb UV 9, Sunscreen UV-15, Usaf cy-9, Mixture Name, Spectra-sorb UV 9, Uvinul M40

Molecular Formula: C14H12O3Molecular Weight: 228.243280 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DXGLGDHPHMLXJC-UHFFFAOYSA-N

• 1,1,2,2-Tetrachloroethane
IUPAC Name: 1,1,2,2-tetrachloroethane | CAS Registry Number: 79-34-5
Synonyms: s-Tetrachloroethane, Bonoform, Cellon, Tetrachlorethane, Tetrachloroethane, Acetosal, Westron, Acetylene tetrachloride, Acetosol, TCE (ambiguous), sym-Tetrachloroethane, Caswell No. 826, 1,1,2,2-TETRACHLOROETHANE, Ethane, 1,1,2,2-tetrachloro-, Tetrachloroethane (VAN), RCRA waste no. U209, WLN: GYGYGG, RCRA waste number U209, Tetrachlorure d'acetylene, 1,1,2,2-Tetrachloraethan

Molecular Formula: C2H2Cl4Molecular Weight: 167.849280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QPFMBZIOSGYJDE-UHFFFAOYSA-N

• 1-Naphthaldehyde
IUPAC Name: naphthalene-1-carbaldehyde | CAS Registry Number: 66-77-3
Synonyms: alpha-Naphthal, 1-Formylnaphthalene, 1-Naphthylaldehyde, Naphthaldehyde, alpha-Naphthaldehyde, I-Napthaldehyde, .alpha.-Naphthal, alpha-Naphthylaldehyde, 1-NAPHTHALENECARBOXALDEHYDE, .alpha.-Naphthaldehyde, alpha-Naphthylcarboxaldehyde, .alpha.-Naphthylaldehyde, N109_ALDRICH, .alpha.-Naphthylcarboxaldehyde, 1-NAPHTHALDEHYDE, REAG, NAPHTHALENECARBOXALDEHYDE, NSC 6106, 70180_FLUKA, EINECS 200-633-4, NSC6106

Molecular Formula: C11H8OMolecular Weight: 156.180620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SQAINHDHICKHLX-UHFFFAOYSA-N

• 2,6-Difluoroaniline
IUPAC Name: 2,6-difluoroaniline | CAS Registry Number: 5509-65-9
Synonyms: Benzenamine, 2,6-difluoro-, 196614_ALDRICH, BB_SC-4594, EINECS 226-853-0, NSC127234, ZINC00159273, D155, TL8003601, InChI=1/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H

Molecular Formula: C6H5F2NMolecular Weight: 129.107406 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ODUZJBKKYBQIBX-UHFFFAOYSA-N

• 5-Phenyltetrazole
IUPAC Name: 5-phenyl-2H-tetrazole | CAS Registry Number: 18039-42-4
Synonyms: Phenyltetrazole, 5-Phenyl tetrazole, Expandex 5PT, Expandex OX 5PT, 5-Phenyl-2H-tetrazole, Kempore 50XPT, 1H-Tetrazole, 5-phenyl-, 5-Phenyl-1H-tetrazole, 2H-Tetrazole, 5-phenyl-, Tetrazole, 5-phenyl-, 5-Phenyltetrazole (VAN), 5-phenyl-2H-tetraazole, Enamine_005030, MA 1623, MLS000779707, 347744_ALDRICH, Tetrazole, 5-phenyl- (6CI), EINECS 241-950-8, NSC 11138, AIDS084282

Molecular Formula: C7H6N4Molecular Weight: 146.149340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: MARUHZGHZWCEQU-UHFFFAOYSA-N

• 3,5-Dinitrosalicylic Acid
IUPAC Name: 2-hydroxy-3,5-dinitrobenzoic acid | CAS Registry Number: 609-99-4
Synonyms: 3,5-Dinitrosalicylate, 3,5-DINITROSALICYLIC ACID, Salicylic acid, 3,5-dinitro-, Benzoic acid, 2-hydroxy-3,5-dinitro-, 2-Hydroxy-3,5-dinitrobenzoic acid, 3,5-Dinitro-2-hydroxybenzoic acid, Oprea1_730607, D0550_SIGMA, NSC 181, 128848_ALDRICH, NSC181, EINECS 210-204-3, BRN 2220661, AI3-15341, NCGC00166042-01, LS-144323, ST5308508, TL8003862, BENZOIC ACID,3,5-DINITRO,2-HYDROXY, C11319

Molecular Formula: C7H4N2O7Molecular Weight: 228.115860 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 7

InChIKey: LWFUFLREGJMOIZ-UHFFFAOYSA-N

• 4-Methylcatechol
IUPAC Name: 4-methylbenzene-1,2-diol | CAS Registry Number: 452-86-8
Synonyms: Homocatechol, 3,4-Dihydroxytoluene, Homopyrocatechol, p-Methylcatechol, p-Methylpyrocatechol, 4-Methyl-1,2-benzenediol, Toluene-3,4-diol, 4-methylbenzene-1,2-diol, 4-METHYLPYROCATECHOL, Pyrocatechol, 4-methyl-, 1,2-Benzenediol, 4-methyl-, 1,2-Dihydroxy-4-methylbenzene, Ambap4371, 4-Methyl-1,2-dihydroxybenzene, CCRIS 3333, M34200_ALDRICH, MLS001066329, C7H8O2, 53480_FLUKA, CHEBI:17254

Molecular Formula: C7H8O2Molecular Weight: 124.137220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZBCATMYQYDCTIZ-UHFFFAOYSA-N

• 2-Mercapo Ethanol
IUPAC Name: 2-sulfanylethanol | CAS Registry Number: 60-24-2
Synonyms: 2-mercaptoethanol, Mercaptoethanol, Thioglycol, Monothioglycol, Thiomonoglycol, Ethanol, 2-mercapto-, Beta-Mercaptoethanol, Mercaptoetanol, 2-Thioethanol, Thioethylene glycol, 2-Sulfanylethanol, 2-Hydroxyethanethiol, 1-Ethanol-2-thiol, b-mercaptoethanol, Hydroxyethyl mercaptan, Monothioethylene glycol, 2 Mercaptoethanol, Monothioethyleneglycol, 2-Mercapto-1-ethanol, 2-Mercaptoethyl alcohol

Molecular Formula: C2H6OSMolecular Weight: 78.133440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DGVVWUTYPXICAM-UHFFFAOYSA-N

• 1,4-Dioxane
IUPAC Name: 1,4-dioxane | CAS Registry Number: 123-91-1
Synonyms: p-Dioxane, Dioxane, Dioxan, Diethylene ether, 1,4-DIOXANE, Diethylene oxide, Diokan, Di(ethylene oxide), Tetrahydro-p-dioxin, Diethylene dioxide, para-Dioxane, Dioxyethylene ether, 1,4-Diethylene dioxide, Dioxane-1,4, Dioxanne, Glycolethylenether, Dioksan, Glycol ethylene ether, Diox, :dioxane

Molecular Formula: C4H8O2Molecular Weight: 88.105120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RYHBNJHYFVUHQT-UHFFFAOYSA-N

• 2-Mercapto Pyrimidine
IUPAC Name: 1H-pyrimidine-2-thione | CAS Registry Number: 1450-85-7
Synonyms: 2-Thiopyrimidine, 2-Mercaptopyrimidine, 2-Pyrimidinethiol, Pyrimidine-2-thiol, 2-Pyrimidinethione, Pyrimidine-1-thiol, 2(1H)-Pyrimidinethione, 129623_ALDRICH, AIDS023055, AIDS-023055, NSC48073, EINECS 215-917-3, EINECS 258-741-2, NSC193522, SBB007595, ZINC01649580, ZINC02008823, 19351-11-2 (DELETED), 107646-94-6 (DELETED), InChI=1/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7

Molecular Formula: C4H4N2SMolecular Weight: 112.152960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 0

InChIKey: HBCQSNAFLVXVAY-UHFFFAOYSA-N

• 1,2,3-Benzotriazole
IUPAC Name: 2H-benzotriazole | CAS Registry Number: 95-14-7
Synonyms: Benzotriazole, 1H-Benzotriazole, Azimidobenzene, Aziminobenzene, Benzisotriazole, Benztriazole, Benzene azimide, 2,3-Diazaindole, Purine analog, Cobratec #99, Cobratec 99, 2H-Benzotriazole, 1,2,3-Triazaindene, 1,2-Aminoazophenylene, 1,2,-Aminozophenylene, 1H-1,2,3-Benzotriazole, Pseudoazimidobenzene, Benzotriazole (VAN), 1,2,3-BENZOTRIAZOLE, cobr atec #99

Molecular Formula: C6H5N3Molecular Weight: 119.124000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QRUDEWIWKLJBPS-UHFFFAOYSA-N

• 2-Mercaptoacetic Acid
IUPAC Name: 2-sulfanylacetic acid | CAS Registry Number: 68-11-1
Synonyms: mercaptoacetic acid, thioglycolic acid, thioglycolate, Thiovanic acid, Mercaptoessigsaeure, Acetic acid, mercapto-, 2-Thioglycolic acid, Thioglykolsaeure, 2-Mercaptoacetate, 2-Mercaptoacetic acid, Thioglycollic acid, Sulfanylacetic acid, Glycolic acid, thio-, Mercaptoethanoic acid, Merkaptoessigsaeure, Acide thioglycolique, sJPhLPDIKTp@, Glycolic acid, 2-thio-, .alpha.-Mercaptoacetic acid, USAF CB-35

Molecular Formula: C2H4O2SMolecular Weight: 92.116960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CWERGRDVMFNCDR-UHFFFAOYSA-N

• 1,3,5-Benzenetricarbonyl Trichloride
IUPAC Name: benzene-1,3,5-tricarbonyl chloride | CAS Registry Number: 4422-95-1
Synonyms: Trimesoyl chloride, Trimesic acid trichloride, 1,3,5-Benzenetricarbonyl trichloride, 147532_ALDRICH, 1,3,5-Benzenetricarbonyl chloride, 92132_FLUKA, 1,3,5-Benzenetricarboxylic chloride, NSC82328, Benzene-1,3,5-tricarbonyl chloride, EINECS 224-594-8, NSC 82328, 1,3,5-Benzenetricarboxylic acid chloride, 84270-84-8

Molecular Formula: C9H3Cl3O3Molecular Weight: 265.477320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UWCPYKQBIPYOLX-UHFFFAOYSA-N

• 3,4,5-Trimethoxybenzaldehyde (TMBA)
IUPAC Name: 3,4,5-trimethoxybenzaldehyde | CAS Registry Number: 86-81-7
Synonyms: 3,4,5-TRIMETHOXYBENZALDEHYDE, Benzaldehyde, 3,4,5-trimethoxy-, T68403_ALDRICH, 92140_FLUKA, EINECS 201-701-6, BENZALDEHYDE,3,4,5-TRIMETHOXY-, NSC 16692, AIDS017928, AIDS-017928, NSC16692, BRN 0395163, SBB016338, ZINC02504375, AI3-36673, LS-25170, TL8005630, 4-08-00-02719 (Beilstein Handbook Reference), InChI=1/C10H12O4/c1-12-8-4-7(6-11)5-9(13-2)10(8)14-3/h4-6H,1-3H

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: OPHQOIGEOHXOGX-UHFFFAOYSA-N

• 5-MethylUridine (Ribothymidine)
IUPAC Name: 1-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione | CAS Registry Number: 1463-10-1
Synonyms: Ribothymidine, 5-Methyluridine, Thymine riboside, Ambap220, Uridine, 5-methyl-, nchembio.2007.30-comp3d, 5MU-5MU-5MU, M8905_SIGMA, 535893_ALDRICH, CHEBI:30821, AIDS184529, AIDS-184529, EINECS 215-973-9, ZINC02583634, 5-METHYLURIDINE 5'-MONOPHOSPHATE, TL8001022, 1-((2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl)-5-methylpyrimidine-2,4(1H,3H)-dione, 1-[(4S,2R,3R,5R)-3,4-Dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-dihydropyrimidine-2,4-dione, 5MU, 849658-09-9

Molecular Formula: C10H14N2O6Molecular Weight: 258.227960 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: DWRXFEITVBNRMK-JXOAFFINSA-N

• 3-Amino-5-MethylIsoxazole
IUPAC Name: 5-methyl-1,2-oxazol-3-amine | CAS Registry Number: 1072-67-9
Synonyms: 5-Methyl-3-isoxazolamine, 3-Amino-5-methylisoxazole, 3-Isoxazolamine, 5-methyl-, 3-Methyl-5-aminoisoxazole, 5-Methyl-3-aminoisoxazole, Isoxazole, 3-amino-5-methyl-, 5-Methylisoxazol-3-ylamine, 5-methylisoxazol-3-amine, 232270_ALDRICH, EINECS 214-013-6, NSC159134, NSC 159134, 3-AMINO-5-METHYL ISOXAZOLE, CID66172, SBB005553, ZINC01610351, AI3-62721, Isoxazole, 3-amino-5-methyl- (8CI), SDCCGMLS-0066220.P001, LS-195291

Molecular Formula: C4H6N2OMolecular Weight: 98.103240 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FKPXGNGUVSHWQQ-UHFFFAOYSA-N

• 3 4-Dihydroxybenzoic Acid
IUPAC Name: 3,4-dihydroxybenzoic acid | CAS Registry Number: 99-50-3
Synonyms: protocatechuic acid, protocatechuate, Protocatehuic acid, 3,4-DIHYDROXYBENZOIC ACID, 1ykp, 3,4-dihydroxybenzoate, 4,5-Dihydroxybenzoic acid, Benzoic acid, 3,4-dihydroxy-, 4-Carboxy-1,2-dihydroxybenzene, 3,4-dihydrobenzoic acid, Protocatechuic acid polymer, CCRIS 6291, 3, 4-Dihydroxybenzoic acid, CID72, MLS000737807, 3-4-DIHYDROXYBENZOATE, C7H6O4, 37580_FLUKA, CHEBI:36062, EINECS 202-760-0

Molecular Formula: C7H6O4Molecular Weight: 154.120140 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: YQUVCSBJEUQKSH-UHFFFAOYSA-N

• 4-Aminopyridine
IUPAC Name: pyridin-4-amine | CAS Registry Number: 504-24-5
Synonyms: 4-aminopyridine, 4-Pyridinamine, Fampridine, Avitrol, 4-Pyridylamine, p-Aminopyridine, Fampridine-SR, Neurelan, Pymadine, pyridin-4-amine, Pyridine, 4-amino-, Amino-4 pyridine, gamma-Aminopyridine, Aminopyridine, Ampydin, Pymadin, 4 Aminopyridine, Avitrol 200, Fampridine SR, Pimadin (free base)

Molecular Formula: C5H6N2Molecular Weight: 94.114540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NUKYPUAOHBNCPY-UHFFFAOYSA-N

• 2,4,5-Trichloroaniline
IUPAC Name: 2,4,5-trichloroaniline | CAS Registry Number: 636-30-6
Synonyms: 2,4,5-TRICHLOROANILINE, Aniline, 2,4,5-trichloro-, Benzenamine, 2,4,5-trichloro-, T54003_ALDRICH, 35828_RIEDEL, CCRIS 2882, NSC64139, 91140_FLUKA, CID12487, EINECS 211-254-9, NSC 64139, SBB003585, ZINC00391971, Aniline, 2,4,5-trichloro- (8CI), TL8004450, InChI=1/C6H4Cl3N/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H

Molecular Formula: C6H4Cl3NMolecular Weight: 196.461660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GUMCAKKKNKYFEB-UHFFFAOYSA-N

• 4-Chloro-1,3-dioxolan-2-one
IUPAC Name: 4-chloro-1,3-dioxolan-2-one | CAS Registry Number: 3967-54-2
Synonyms: Chloroethylene carbonate, Chloroethyleneglycol carbonate, 1,3-Dioxolan-2-one, 4-chloro-, 167630_ALDRICH, NSC74446, 24481_FLUKA, AIDS125494, AIDS-125494, CID98075, EINECS 223-583-5, NSC 74446

Molecular Formula: C3H3ClO3Molecular Weight: 122.507120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OYOKPDLAMOMTEE-UHFFFAOYSA-N

• 4-Chloro-3-Nitrobenzoic Acid
IUPAC Name: 4-chloro-3-nitrobenzoic acid | CAS Registry Number: 96-99-1
Synonyms: 3-Nitro-4-chlorobenzoic acid, Benzoic acid, 4-chloro-3-nitro-, WLN: WNR BG EVQ, 4-CHLORO-3-NITROBENZOIC ACID, CCRIS 3126, C60007_ALDRICH, NSC 8440, 25450_FLUKA, EINECS 202-550-9, NSC8440, Kyselina 4-chloro-3-nitrobenzoova, BRN 0783626, SBB000404, 4-CHLORO-3-NITROBENZOIC ACIC, Kyselina 4-chloro-3-nitrobenzoova [Czech], LS-36572, TL8006017, 4-09-00-01226 (Beilstein Handbook Reference), InChI=1/C7H4ClNO4/c8-5-2-1-4(7(10)11)3-6(5)9(12)13/h1-3H,(H,10,11

Molecular Formula: C7H4ClNO4Molecular Weight: 201.563960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: DFXQXFGFOLXAPO-UHFFFAOYSA-N

• 4-Bromophenol
IUPAC Name: 4-bromophenol | CAS Registry Number: 106-41-2
Synonyms: p-Bromophenol, 4-BROMOPHENOL, Phenol, 4-bromo-, Phenol, p-bromo-, p-Bromophenic acid, p-Bromohydroxybenzene, CCRIS 632, B75808_ALDRICH, 442405_SUPELCO, NSC 4970, EINECS 203-394-4, NSC4970, AIDS017751, AIDS-017751, ZINC00404316, AI3-14903, TL806339, LS-104088, ST5214520, C14453

Molecular Formula: C6H5BrOMolecular Weight: 173.007300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GZFGOTFRPZRKDS-UHFFFAOYSA-N

• 2-Amino-4,6-Dichloro Pyrimidine
IUPAC Name: 4,6-dichloropyrimidin-2-amine | CAS Registry Number: 56-05-3
Synonyms: 2-Amino-4,6-dichloropyrimidine, Py 11, 2-Pyrimidinamine, 4,6-dichloro-, CCRIS 7460, 4,6-Dichloro-2-pyrimidinamine, A48601_ALDRICH, 4,6-Dichloropyrimidin-2-ylamine, Pyrimidine, 2-amino-4,6-dichloro-, 07686_FLUKA, EINECS 200-253-9, NSC 18698, AIDS020791, AIDS-020791, NSC18698, BRN 0118454, SBB003919, ZINC01081248, AI3-52142, LS-134474, Pyrimidine, 2-amino-4,6-dichloro- (8CI)

Molecular Formula: C4H3Cl2N3Molecular Weight: 163.992720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: JPZOAVGMSDSWSW-UHFFFAOYSA-N

• 3,4,5-Trimethoxy Methyl Benzoate
IUPAC Name: methyl 3,4,5-trimethoxybenzoate | CAS Registry Number: 1916-07-0
Synonyms: Methyl tri-O-methylgallate, Methyl 3,4,5-trimethoxybenzoate, Trimethylgallic acid methyl ester, M86006_ALDRICH, 3,4,5-Trimethoxybenzoic acid, methyl ester, EINECS 217-629-3, NSC 16955, NSC16955, BRN 2218156, ZINC00057165, BENZOIC ACID, 3,4,5-TRIMETHOXY-, METHYL ESTER, AI3-21154, LS-38496, METHYL-3,4,5-TRIMETHOXY BENZOATE, 3,4,5-Trimethoxybenzoic acid methyl ester, ST5307960, 4-10-00-01999 (Beilstein Handbook Reference), AF-684/30328043, InChI=1/C11H14O5/c1-13-8-5-7(11(12)16-4)6-9(14-2)10(8)15-3/h5-6H,1-4H

Molecular Formula: C11H14O5Molecular Weight: 226.225860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: KACHFMOHOPLTNX-UHFFFAOYSA-N

• 3-Phenyl Propanoic Acid
IUPAC Name: 3-phenylpropanoic acid | CAS Registry Number: 501-52-0
Synonyms: hydrocinnamic acid, Phenylpropanoate, Benzylacetic acid, 3-phenylpropionic acid, Benzenepropanoic acid, 3-Phenylpropanoic acid, Dihydrocinnamic acid, Benzenepropionic acid, Hydrozimtsaeure, Phenylpropanoic acid, 1ahx, 1tog, 1toi, 1toj, 3-phenylpropionate, 3-Phenyl-propionic acid, Phenylpropionic acid, 3-Phenylpropionsaeure, beta-Phenylpropioic acid, BETA-PHENYLPROPIONIC ACID

Molecular Formula: C9H10O2Molecular Weight: 150.174500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XMIIGOLPHOKFCH-UHFFFAOYSA-N


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