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• P-Aminothiophenol
IUPAC Name: 4-aminobenzenethiol | CAS Registry Number: 1193-02-8
Synonyms: 4-Aminothiophenol, 4-Mercaptoaniline, p-Aminobenzenethiol, p-Aminothiophenol, p-Mercaptoaniline, Benzenethiol, p-amino-, p-Aminophenylmercaptan, 4-AMINOBENZENETHIOL, Ambap4654, 4-Aminophenyl mercaptan, Benzenethiol, 4-amino-, 422967_ALDRICH, Benzenethiol, 4-amino- (9CI), EINECS 214-763-4, BRN 0906904, AI3-52549, LS-32185, TL806378, 4-13-00-01289 (Beilstein Handbook Reference)

Molecular Formula: C6H7NSMolecular Weight: 125.191480 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WCDSVWRUXWCYFN-UHFFFAOYSA-N

• p-Chlorophenoxyacetic Acid
IUPAC Name: 2-(4-chlorophenoxy)acetic acid | CAS Registry Number: 122-88-3
Synonyms: Tomatotone, Tomato Fix, Sure-Set, Tomato hold, PCPA, Marks 4-cpa, 4-CPA, 4-Chlorophenoxyacetate, Caswell No. 204, Tomato Fix concentrate, (4-Chlorophenoxy)acetic acid, 4CPA, p-Chlorophenoxyacetic acid, (p-Chlorophenoxy)acetic acid, Acetic acid, (p-chlorophenoxy)-, 4-CHLOROPHENOXYACETIC ACID, Acetic acid, (4-chlorophenoxy)-, Parachlorophenoxyacetic acid, 4-Chlorphenoxyessigsaeure, PS39_SUPELCO

Molecular Formula: C8H7ClO3Molecular Weight: 186.592380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SODPIMGUZLOIPE-UHFFFAOYSA-N

• P-Chlorophenylacetic Acid
IUPAC Name: 2-(4-chlorophenyl)acetic acid | CAS Registry Number: 1878-66-6
Synonyms: 4-Chlorophenylacetic acid, (4-Chlorophenyl)acetic acid, 4-Chlorobenzeneacetic acid, (p-Chlorophenyl)acetic acid, Benzeneacetic acid, 4-chloro-, Acetic acid, (p-chlorophenyl)-, 4-Chlorophenyl acetate, P-CHLOROPHENYLACETIC ACID, 2-(p-Chlorophenyl)acetic acid, 4-Chlorophenyl acetic acid, 4-CHLOROPHENYLACETATE, (p-Chloro-phenyl)acetic acid, 139262_ALDRICH, CHEBI:30749, EINECS 217-521-6, NSC 14285, AIDS017634, AIDS-017634, NSC14285, BRN 1072816

Molecular Formula: C8H7ClO2Molecular Weight: 170.592980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CDPKJZJVTHSESZ-UHFFFAOYSA-N

• P-Chlorothiophenol
IUPAC Name: 4-chlorobenzenethiol | CAS Registry Number: 106-54-7
Synonyms: 4-Chlorothiophenol, p-Chlorothiophenol, p-Chlorobenzenethiol, Benzenethiol, p-chloro-, p-Chlorthiofenol, Benzenethiol, 4-chloro-, p-Chlorophenylmercaptan, p-Mercaptochlorobenzene, 4-Chlorophenylmercaptan, 4-CHLOROBENZENETHIOL, 1-Chloro-4-mercaptobenzene, p-Chlorthiofenol [Czech], Phenyl mercaptan, p-chloro-, 4-Chlorophenyl mercaptan, WLN: SHR DG, 125237_ALDRICH, EINECS 203-408-9, NSC 18714, NSC18714, BRN 0605971

Molecular Formula: C6H5ClSMolecular Weight: 144.621900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: VZXOZSQDJJNBRC-UHFFFAOYSA-N

• P-Cyanobenzylchloride
IUPAC Name: 4-(chloromethyl)benzonitrile | CAS Registry Number: 874-86-2
Synonyms: 3-Cyanobenzylchloride, p-Cyanobenzyl chloride, 4-(Chloromethyl)benzonitrile, CCRIS 5103, Benzonitrile, 4-(chloromethyl)-, NSC 6307, EINECS 212-869-5, ZERO/004616, NSC6307, NSC 44855, NSC44855, ZINC00559396, LS-188208

Molecular Formula: C8H6ClNMolecular Weight: 151.592940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LOQLDQJTSMKBJU-UHFFFAOYSA-N

• P-Fluorobenzyl Chloride
IUPAC Name: 1-(chloromethyl)-4-fluorobenzene | CAS Registry Number: 352-11-4
Synonyms: 4-Fluorobenzyl chloride, alpha-Chloro-4-fluorotoluene, P-FLUOROBENZYL CHLORIDE, alpha-Chloro-p-fluorotoluene, Benzene, 1-(chloromethyl)-4-fluoro-, 1-(Chloromethyl)-4-fluorobenzene, CCRIS 5107, F8004_ALDRICH, Toluene, .alpha.-chloro-p-fluoro-, .alpha.-Chloro-p-fluorotoluene, 1-Chloromethyl-4-fluorobenzene, .alpha.-Chloro-4-fluorotoluene, EINECS 206-516-4, Toluene, alpha-chloro-p-fluoro-, NSC 25084, NSC25084, Toluene, alpha-chloro-p-fluoro- (8CI), F119, LS-188126, ST5214001

Molecular Formula: C7H6ClFMolecular Weight: 144.573943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: IZXWCDITFDNEBY-UHFFFAOYSA-N

• P-Fluorothiophenol
IUPAC Name: 4-fluorobenzenethiol | CAS Registry Number: 371-42-6
Synonyms: 4-Fluorothiophenol, p-Fluorothiophenol, 4-Fluorobenzenethiol, 4-Fluoro thiophenol, 4-Mercaptofluorobenzene, p-Fluorophenyl mercaptan, F15315_ALDRICH, 47510_FLUKA, NSC77081, EINECS 206-737-6, SB 01479, TL8006732, Y11013

Molecular Formula: C6H5FSMolecular Weight: 128.167303 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OKIHXNKYYGUVTE-UHFFFAOYSA-N

• p-Hydroxybenzophenone
IUPAC Name: (4-hydroxyphenyl)-phenylmethanone | CAS Registry Number: 1137-42-4
Synonyms: p-Benzoylphenol, 4-Hydroxybenzophenone, 4-Benzoylphenol, P-HYDROXYBENZOPHENONE, Benzophenone, 4-hydroxy-, 4'-Hydroxybenzophenone, para-hydroxybenzophenone, (4-Hydroxyphenyl)phenylmethanone, Methanone, (4-hydroxyphenyl)phenyl-, (4-Hydroxyphenyl)(phenyl)methanone, H20202_ALDRICH, nchembio.2007.32-comp8, 4-HYDROXY-BENZOPHENONE, NSC 1887, 4-hydroxybenzophenone, ion(1-), 54800_FLUKA, EINECS 214-507-1, NSC1887, STK045122, ZINC00388760

Molecular Formula: C13H10O2Molecular Weight: 198.217300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NPFYZDNDJHZQKY-UHFFFAOYSA-N

• P-Methoxythiophenol
IUPAC Name: 4-methoxybenzenethiol | CAS Registry Number: 696-63-9
Synonyms: 4-Methoxybenzenethiol, p-Methoxybenzenethiol, 4-Methoxythiophenol, 4-Mercaptoanisole, para-Methoxybenzenethiol, Benzenethiol, 4-methoxy-, 4-Methoxy thiophenol, Thiophenol, polymer-bound, BENZENETHIOL, p-METHOXY-, WLN: SHR DO1, 109525_ALDRICH, 661163_ALDRICH, EINECS 211-799-2, Benzenethiol, 4-methoxy- (9CI), NSC 100727, BRN 1446910, NSC100727, LS-32193, TL 00258, TL8004895

Molecular Formula: C7H8OSMolecular Weight: 140.202820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NIFAOMSJMGEFTQ-UHFFFAOYSA-N

• P-Nitrobenzamide
IUPAC Name: 4-nitrobenzamide | CAS Registry Number: 619-80-7
Synonyms: p-Nitrobenzamide, 4-NITROBENZAMIDE, Benzamide, p-nitro-, Benzamide, 4-nitro-, p-Nitrobenzamide, 98%, 189286_ALDRICH, NSC 2902, EINECS 210-613-7, NSC2902, AIDS022737, AIDS-022737, SBB008201, ZINC00163490, AI3-01346, FR-1053, LS-1476, NCGC00090909-01, NCI60_002383, ST5406673, TL8004004

Molecular Formula: C7H6N2O3Molecular Weight: 166.134140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ZESWUEBPRPGMTP-UHFFFAOYSA-N

• P-Phthaloyl Chloride
IUPAC Name: benzene-1,4-dicarbonyl chloride | CAS Registry Number: 100-20-9
Synonyms: Terephthaloyl chloride, Terephthaloyl dichloride, p-Phthaloyl chloride, p-Phthalyl dichloride, p-Phthaloyl dichloride, Terephthalic dichloride, Terephthalyl dichloride, Terephthalic acid chloride, p-Phenylenedicarbonyl dichloride, Terephthalic acid dichloride, 1,4-Benzenedicarbonyl chloride, 1,4-BENZENEDICARBONYL DICHLORIDE, HSDB 5332, 120871_ALDRICH, EINECS 202-829-5, NSC 41885, NSC41885, BRN 0607796, NCGC00164045-01, LS-148753

Molecular Formula: C8H4Cl2O2Molecular Weight: 203.022160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LXEJRKJRKIFVNY-UHFFFAOYSA-N

• P-Thiocresol
IUPAC Name: 4-methylbenzenethiol | CAS Registry Number: 106-45-6
Synonyms: p-Toluenethiol, p-Thiocresol, p-Thiolcresol, p-Tolylthiol, p-Tolyl mercaptan, 4-Toluenethiol, 4-Methylbenzenethiol, 4-Methylthiophenol, p-Tolylthiophenol, p-Methylthiophenol, Thiocresol, Toluenethiol, p-Mercaptotoluene, p-Methylbenzenethiol, Methylthiophenol, Toluene-4-thiol, x-Toluenethiol, Benzenethiol, 4-methyl-, Thio-p-cresol, 4-THIOCRESOL

Molecular Formula: C7H8SMolecular Weight: 124.203420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WLHCBQAPPJAULW-UHFFFAOYSA-N

• p-Tolualdehyde
IUPAC Name: 4-methylbenzaldehyde | CAS Registry Number: 104-87-0
Synonyms: p-Formyltoluene, p-Toluylaldehyde, 4-Tolualdehyde, p-Tolylaldehyde, para-Tolualdehyde, p-Methylbenzaldehyde, 4-METHYLBENZALDEHYDE, Tolualdehydes, Benzaldehyde, 4-methyl-, 4-Toluylaldehyde, para-Toluyl aldehyde, para-Methylbenzaldehyde, FEMA No. 3068, CCRIS 2942, T35602_ALDRICH, HSDB 5361, W306800_ALDRICH, NSC 2224, 89850_FLUKA, EINECS 203-246-9

Molecular Formula: C8H8OMolecular Weight: 120.148520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FXLOVSHXALFLKQ-UHFFFAOYSA-N

• p-Xylene Dichloride
IUPAC Name: 1,4-bis(chloromethyl)benzene | CAS Registry Number: 623-25-6
Synonyms: p-Xylylene dichloride, p-Xylylene chloride, p-Dichloroxylene, Dichlorodi-p-xylylene, 1,4-Bis(chloromethyl)benzene, p-Bis(chloromethyl)benzene, alpha,alpha'-Dichloro-p-xylene, a,a'-dichloro-p-xylene, Benzene, 1,4-bis(chloromethyl)-, Benzene, p-bis(chloromethyl)-, CCRIS 1772, WLN: G1R D1G, p-Xylene-alpha,alpha'-dichloride, 105740_ALDRICH, 36586_FLUKA, EINECS 210-782-7, p-Xylene, .alpha.,.alpha.'-dichloro-, NSC 36976, p-XYLENE, alpha,alpha'-DICHLORO-, .alpha.,.alpha.-Dichloro-p-xylene

Molecular Formula: C8H8Cl2Molecular Weight: 175.055120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: ZZHIDJWUJRKHGX-UHFFFAOYSA-N

• p-Xylene Dimethyl Ether
IUPAC Name: 1,4-bis(methoxymethyl)benzene | CAS Registry Number: 6770-38-3
Synonyms: 1,4-Bis(methoxymethyl)benzene, Benzene, 1,4-bis(methoxymethyl)-, EINECS 229-828-2, NSC137830, ZINC01723264, .alpha.,.alpha.'-Dimethoxy-p-xylene, 2H-903, 52007-29-1

Molecular Formula: C10H14O2Molecular Weight: 166.216960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: DAJPMKAQEUGECW-UHFFFAOYSA-N

• Para Cresyl Methyl Ether
IUPAC Name: 1-methoxy-4-methylbenzene | CAS Registry Number: 104-93-8
Synonyms: p-Methylanisole, 4-Methylanisole, p-Methoxytoluene, 4-Methoxytoluene, Anisole, p-methyl-, Methyl p-cresol, para-Methylanisole, 4-Methyl anisole, Methyl-para-cresol, para-Methoxytoluene, Methyl p-tolyl ether, p-Tolyl methyl ether, Methyl p-cresyl ether, p-Cresol methyl ether, p-Cresyl methyl ether, Benzene, 1-methoxy-4-methyl-, Toluene, 4-methoxy-, 1-Methyl-4-methoxybenzene, 4-Methyl-1-methoxybenzene, FEMA Number 2681

Molecular Formula: C8H10OMolecular Weight: 122.164400 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CHLICZRVGGXEOD-UHFFFAOYSA-N

• Phthaloylchloride
IUPAC Name: benzene-1,2-dicarbonyl chloride | CAS Registry Number: 88-95-9
Synonyms: Phthaloyl dichloride, Phthalic chloride, Phthalyl chloride, Phthalic dichloride, Phthalyl dichloride, Arylsulfonamide, PHTHALOYL CHLORIDE, Phthalic acid dichloride, 1,2-Benzenedicarbonyl dichloride, 1,2-Phthaloyl dichloride, 1,2-Bis(chlorocarbonyl)benzene, Phthaloyl chloride (8CI), P40409_ALDRICH, 79830_FLUKA, EINECS 201-869-0, benzene-1,2-dicarbonyl dichloride, NSC 44611, NSC44611, LS-171199

Molecular Formula: C8H4Cl2O2Molecular Weight: 203.022160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FYXKZNLBZKRYSS-UHFFFAOYSA-N

• Piperazine-2-Carboxylic Acid Dihydrochloride
IUPAC Name: (2S)-piperazine-1,4-diium-2-carboxylate | CAS Registry Number: 3022-15-9
Synonyms: ZINC03860731

Molecular Formula: C5H11N2O2+Molecular Weight: 131.153040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JSSXHAMIXJGYCS-BYPYZUCNSA-O

• Pivaloyl Chloride
IUPAC Name: 2,2-dimethylpropanoyl chloride | CAS Registry Number: 3282-30-2
Synonyms: Pivalyl chloride, Pivaloyl chloride, Trimethylacetyl chloride, Propanoyl chloride, 2,2-dimethyl-, T72605_ALDRICH, 2,2-DIMETHYLPROPANOYL CHLORIDE, 80910_FLUKA, EINECS 221-921-6, UN2438, ZINC01534960, Trimethylacetyl chloride [UN2438] [Poison], InChI=1/C5H9ClO/c1-5(2,3)4(6)7/h1-3H

Molecular Formula: C5H9ClOMolecular Weight: 120.577360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JVSFQJZRHXAUGT-UHFFFAOYSA-N

• Pyridinium Tribromide
IUPAC Name: molecular bromine; pyridine; hydrobromide | CAS Registry Number: 39416-48-3
Synonyms: Pyridinium bromide perbromide, ST5408573

Molecular Formula: C5H6Br3NMolecular Weight: 319.819840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VDCLSGXZVUDARN-UHFFFAOYSA-N

• R-(+)-Propylenediamine Dihydrochloride
IUPAC Name: (2R)-propane-1,2-diamine;dihydrochloride | CAS Registry Number: 19777-67-4
Synonyms: (R)-(+)-1,2-Diaminopropane dihydrochloride, (R)-1,2-Diaminopropane 2HCl, (R)-1,2-Diaminopropane Dihydrochloride, (R)-(+)-Propylenediamine dihydrochloride, ST51037664, 1,2-Propanediamine dihydrochloride, (R)-1,2-Diaminopropane Di hydrochloride, 412554_ALDRICH, 82253_FLUKA, CTK8B1122, MolPort-003-932-227, ACT06789, (R)-Propylenediamine Dihydrochloride, ANW-23771, AKOS015845557, AKOS016015887, AG-E-44412, RP21113, (R)-1,2-Propanediamine Dihydrochloride, AK-45035

Molecular Formula: C3H12Cl2N2Molecular Weight: 147.046780 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: AEIAMRMQKCPGJR-HWYNEVGZSA-N

• S(-)-3-Hydroxy-Y-Butyrolactone
IUPAC Name: (5S)-5-hydroxyoxolan-2-one | CAS Registry Number: 7331-52-4
Synonyms: ZINC04262540, CID2733691

Molecular Formula: C4H6O3Molecular Weight: 102.088640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FYNVARJNCVQAAI-VKHMYHEASA-N

• S-(-)-Propylenediamine Dihydrochloride
IUPAC Name: (2S)-propane-1,2-diamine;dihydrochloride | CAS Registry Number: 19777-66-3
Synonyms: (S)-(-)-1,2-Diaminopropane dihydrochloride, (S)-Propane-1,2-diamine dihydrochloride, (S)-1,2-Diaminopropane Dihydrochloride, (S)-1,2-Propanediamine dihydrochloride, PubChem15232, KSC174S8R, 412562_ALDRICH, (S)-1,2-Diaminopropane 2HCl, CTK0H4988, MolPort-003-932-228, ACT04807, (S)-Propylenediamine Dihydrochloride, ANW-23770, S-(-)-propylenediaminedihydrochloride, AKOS007930112, AKOS015894250, AG-E-44411, RP21112, (S)-PROPANE-1,2-DIAMINE 2HCL, (S)-(-)-Propylenediamine dihydrochloride

Molecular Formula: C3H12Cl2N2Molecular Weight: 147.046780 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: AEIAMRMQKCPGJR-QTNFYWBSSA-N

• Solid Carbonyl Chloride
IUPAC Name: bis(trichloromethyl) carbonate | CAS Registry Number: 32315-10-9
Synonyms: Triphosgene, tri-Phosgene, Bis(trichloromethyl) carbonate, 330752_ALDRICH, 15217_FLUKA, EINECS 250-986-3, ZINC04262022, Methanol, trichloro-, carbonate (2:1)

Molecular Formula: C3Cl6O3Molecular Weight: 296.748300 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UCPYLLCMEDAXFR-UHFFFAOYSA-N

• Thiocarbanilide
IUPAC Name: 1,3-di(phenyl)thiourea | CAS Registry Number: 102-08-9
Synonyms: Diphenylthiourea, Sulfocarbanilide, Stabilisator C, Rhenocure CA, Vulkacit CA, Carbanilide, thio-, sym-Diphenylthiourea, Nocceler C, Diphenylsulfourea, 1,3-Diphenylthiourea, s-Diphenylthiocarbamide, Thiourea, s-diphenyl-, N,N'-DIPHENYLTHIOUREA, 1,3-Diphenyl-2-thiourea, Thiourea, N,N'-diphenyl-, Thiokarbanilid [Czech], Diphenylthiourea (VAN), N,N'-Diphenylthiocarbamide, Thiourea, sym-diphenyl-, USAF EK-245

Molecular Formula: C13H12N2SMolecular Weight: 228.312780 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 0

InChIKey: FCSHMCFRCYZTRQ-UHFFFAOYSA-N

• Thioguanine
IUPAC Name: 2-amino-3,7-dihydropurine-6-thione | CAS Registry Number: 154-42-7
Synonyms: thioguanine, 6-Thioguanine, Tioguanine, Tioguanin, Tabloid, Lanvis, 6-Mercaptoguanine, Wellcome U3B, Guanine, thio-, 2-Thioguanine, 2-Amino-6-mercaptopurine, 2-Amino 6MP, 2-Aminopurin-6-thiol, 2-Amino-6-purinethiol, 2-Aminopurine-6-thiol, 6-Mercapto-2-aminopurine, 2-Aminopurine-6(1H)-thione, 2-Amino-6-MP, Guanine, thio- (VAN), Tioguaninum [INN-Latin]

Molecular Formula: C5H5N5SMolecular Weight: 167.191700 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: WYWHKKSPHMUBEB-UHFFFAOYSA-N

• Thiomorpholine
IUPAC Name: thiomorpholine | CAS Registry Number: 123-90-0
Synonyms: Thiamorpholine, Thiazolidinane, Parathiazan, 1,4-Thiazane, 1,4-Thiazan, 1-Thia-4-azacyclohexane, Tetrahydro-1,4-thiazine, Tetrahydro-2H-1,4-thiazine, 196274_ALDRICH, CHEBI:36392, EINECS 204-660-2, T-3790, InChI=1/C4H9NS/c1-3-6-4-2-5-1/h5H,1-4H, 5967-90-8

Molecular Formula: C4H9NSMolecular Weight: 103.185960 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BRNULMACUQOKMR-UHFFFAOYSA-N

• Trans 4-Amino Cyclohexanol
IUPAC Name: 4-aminocyclohexan-1-ol | CAS Registry Number: 27489-62-9
Synonyms: 4-Aminocyclohexanol, nchembio.87-comp52, trans-4-Aminocyclohexanol, trans-4-Amino-cyclohexanol, trans-4-Aminocyclohexan-1-ol, Cyclohexanol, 4-amino-, trans-, EINECS 229-943-8, EINECS 248-492-8, SBB005825, TL8002212, 6850-65-3

Molecular Formula: C6H13NOMolecular Weight: 115.173520 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IMLXLGZJLAOKJN-UHFFFAOYSA-N

• Trichlorocarbanilide
IUPAC Name: 1-(4-chlorophenyl)-3-(3,4-dichlorophenyl)urea | CAS Registry Number: 101-20-2
Synonyms: Triclocarban, Trilocarban, Procutene, Genoface, Cusiter, Cutisan, Trichlocarban, Solubacter, trichlorcarban, Septivon-Lavril, TCC Soap, Caswell No. 874, TCC (soap bacteriostat), 3,4,4'-Trichlorodiphenylurea, Triclocarban [USAN:INN], Triclocarbanum [INN-Latin], Urea-based compound, 11, 3,4,4'-TRICHLOROCARBANILIDE, Triclocarban (USAN/INN), CCRIS 4880

Molecular Formula: C13H9Cl3N2OMolecular Weight: 315.582360 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: ICUTUKXCWQYESQ-UHFFFAOYSA-N

• Trimethyl Pyruvic Acid
IUPAC Name: 3,3-dimethyl-2-oxobutanoic acid | CAS Registry Number: 815-17-8
Synonyms: Pyruvic acid, trimethyl-, tert-Butylglyoxylic acid, TRIMETHYLPYRUVIC ACID, Glyoxylic acid, tert-butyl-, Butanoic acid, 3,3-dimethyl-2-oxo-, 3,3-Dimethyl-2-oxobutyric acid, 3,3-Dimethyl-2-oxobutanoic acid, Butyric acid, 3,3-dimethyl-2-oxo-, HSDB 5757, 3,3-Dimethyl-2-oxo-butanoic acid, NSC16648, EINECS 212-418-2, NSC 16648, AI3-11509, TL8006696

Molecular Formula: C6H10O3Molecular Weight: 130.141800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IAWVHZJZHDSEOC-UHFFFAOYSA-N

• Z-Lys(Boc)-OH
IUPAC Name: (4S)-4-(phenylmethyl)-1,3-oxazolidin-2-one | CAS Registry Number: 90719-32-7
Synonyms: (S)-4-Benzyl-2-oxazolidinone, 294640_ALDRICH, 13616_FLUKA, CID736225, ZINC00156419, ZINC04284392, SB 02020, TL8005821, InChI=1/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: OJOFMLDBXPDXLQ-VIFPVBQESA-N

• 1,3-Dioxane-5,5-dimethanol, 2-phenyl-
IUPAC Name: [5-(hydroxymethyl)-2-phenyl-1,3-dioxan-5-yl]methanol | CAS Registry Number: 2425-41-4
Synonyms: Monobenzalpentaerythritol, 2-Phenyl-m-dioxane-5,5-dimethanol, NSC 48280, NSC48280, BRN 0154755, LS-62285, m-DIOXANE-5,5-DIMETHANOL, 2-PHENYL-, ST5438361, 1,3-Dioxane-5,5-dimethanol, 2-phenyl- (9CI), 4-19-00-01020 (Beilstein Handbook Reference)

Molecular Formula: C12H16O4Molecular Weight: 224.253040 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: DHWCGYXHBIWIPM-UHFFFAOYSA-N

• 1-Acetonaphthone
IUPAC Name: 1-naphthalen-1-ylethanone | CAS Registry Number: 941-98-0
Synonyms: 1'-Acetonaphthone, 1-Acetylnaphthalene, 1-Acetonaphthalene, alpha-Acetonaphthone, Methyl 1-naphthyl ketone, alpha-Acetylnaphthalene, 1-Naphthyl methyl ketone, .alpha.-Acetonaphthone, alpha-Naphthyl methyl ketone, 1-(1-Naphthalenyl)ethanone, Ethanone, 1-(1-naphthalenyl)-, Methyl alpha-naphthyl ketone, .alpha.-Acetylnaphthalene, 1-(1-Naphthyl)ethanone, ALPHA-NAPHTHYLKETONE, ghl.PD_Mitscher_leg0.724, .alpha.-Naphthyl methyl ketone, Methyl .alpha.-naphthyl ketone, 276766_ALDRICH, NSC 7659

Molecular Formula: C12H10OMolecular Weight: 170.207200 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QQLIGMASAVJVON-UHFFFAOYSA-N

• 4-Aminobenzoic Acid
IUPAC Name: 4-aminobenzoic acid | CAS Registry Number: 150-13-0
Synonyms: 4-aminobenzoic acid, p-aminobenzoic acid, Hachemina, Paraminol, Pabafilm, Pabamine, Paranate, Pabacyd, Amben, p-Carboxyaniline, Papacidum, Sunbrella, Romavit, RVPaba Lipstick, p-aminobenzoate, Potaba, Rvpaba, 4-Carboxyaniline, Vitamin BX, 4-aminobenzoate

Molecular Formula: C7H7NO2Molecular Weight: 137.135980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ALYNCZNDIQEVRV-UHFFFAOYSA-N

• 2,4-Dichlorophenol
IUPAC Name: 2,4-dichlorophenol | CAS Registry Number: 120-83-2
Synonyms: 2,4-DICHLOROPHENOL, 4,6-Dichlorophenol, Phenol, 2,4-dichloro-, Isobac, Ambap1462, Dichlorophenol, 2,4-, RCRA waste no. U081, 2,4-Dichlorohydroxybenzene, RCRA waste number U081, 24-DICHLOROPHENOL, 1-Hydroxy-2,4-dichlorobenzene, C6H4Cl2O, WLN: QR BG DG, 2,4-dichlorophenol sodium, CCRIS 657, 2,4-DCP, NCI-C55345, 2,4-dichlorophenol potassium, HSDB 1139, 48528_SUPELCO

Molecular Formula: C6H4Cl2OMolecular Weight: 163.001360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HFZWRUODUSTPEG-UHFFFAOYSA-N

• 3-Amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one
IUPAC Name: 3-amino-1,3,4,5-tetrahydro-1-benzazepin-2-one | CAS Registry Number: 86499-35-6
Synonyms: 3-amino-1,3,4,5-tetrahydro-2H-1-benzazepin-2-one, 3-Amino-2,3,4,5-tetrahydro-1H-benzazepin-2-one, 3-Amino-1,3,4,5-tetrahydro-benzo[b]azepin-2-one, 3-amino-4,5-dihydro-1H-benzo[b]azepin-2(3H)-one, 3-Amino-2,3,4,5-Tetrahydro-1H-1-benzazepin-2-one, AG-H-48945, 3-Amino-2-Oxo-2,3,4,5-tetrahydro-1H-benzo[b]azepine, ACMC-20mwet, PubChem16166, AC1NAXV3, SureCN1270022, 2H-1-Benzazepin-2-one,3-amino-1,3,4,5-tetrahydro-, (3R)-, STOCK7S-10370, CTK5F6863, MolPort-000-000-286, ANW-45348, BBL011254, STK938312, WTI-10315, AKOS005208090

Molecular Formula: C10H12N2OMolecular Weight: 176.215080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: AUAKXRGQXZRTQC-UHFFFAOYSA-N

• 1-Acetamido Adamantane
IUPAC Name: N-(1-adamantyl)acetamide | CAS Registry Number: 880-52-4
Synonyms: 1-Acetamidoadamantane, 1-Adamantylacetamide, N-(1-Adamantyl)acetamide, N-1-Adamantylacetamide, Acetamide, N-1-adamantyl-, 1-Acetamino adamantane, Ambap5974, Acetamide, N-(1-adamantyl)-, 137103_ALDRICH, EINECS 212-914-9, AIDS211778, NSC 527917, AIDS-211778, BRN 2098306, NSC527917, ZINC03860730, LS-8000, N-Tricyclo(3.3.1.13,7)dec-1-ylacetamide, Acetamide, N-tricyclo(3.3.1.13,7)dec-1-yl-, Acetamide, N-tricyclo[3.3.1.1]dec-1-yl-

Molecular Formula: C12H19NOMolecular Weight: 193.285360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BCVXYGJCDZPKGV-UHFFFAOYSA-N

• 3,4-Dichlorophenylacetonitrile
IUPAC Name: 2-(3,4-dichlorophenyl)acetonitrile | CAS Registry Number: 3218-49-3
Synonyms: 3,4-Dichlorobenzyl cyanide, 232475_ALDRICH, 35530_FLUKA, (3,4-Dichlorophenyl)acetonitrile, Benzeneacetonitrile, 3,4-dichloro-, EINECS 221-743-9, NSC111725, ZINC00164770, FS000811, AI3-12074, ST5406497, TL8002447, InChI=1/C8H5Cl2N/c9-7-2-1-6(3-4-11)5-8(7)10/h1-2,5H,3H

Molecular Formula: C8H5Cl2NMolecular Weight: 186.038000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QWZNCAFWRZZJMA-UHFFFAOYSA-N

• 1-Aminoindan
IUPAC Name: 2,3-dihydro-1H-inden-1-amine | CAS Registry Number: 34698-41-4
Synonyms: 1-Aminoindane, 1-Indanamine, Indan-1-ylamine, NCIOpen2_000245, A59506_ALDRICH, NSC62540, EINECS 252-158-7, SBB004212, 1H-Inden-1-amine, 2,3-dihydro-, (+-)-, 1H-Inden-1-amine, 2,3-dihydro-, (.+/-.)-, 61949-83-5, InChI=1/C9H11N/c10-9-6-5-7-3-1-2-4-8(7)9/h1-4,9H,5-6,10H

Molecular Formula: C9H11NMolecular Weight: 133.190340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XJEVHMGJSYVQBQ-UHFFFAOYSA-N

• 1-(Trifluoromethyl)Vinyl Acetate
IUPAC Name: 3,3,3-trifluoroprop-1-en-2-yl acetate | CAS Registry Number: 2247-91-8
Synonyms: Trifluoroacetone enol acetate, Trifluoroacetone enolacetate, 1-(Trifluoromethyl)vinyl acetate, alpha-Trifluoromethylvinyl acetate, CID75254, EINECS 218-838-2, ZINC01841348, 1-Propen-2-ol, 3,3,3-trifluoro-, acetate, 1-Propen-2-ol, 3,3,3-trifluoro-, 2-acetate, InChI=1/C5H5F3O2/c1-3(5(6,7)8)10-4(2)9/h1H2,2H

Molecular Formula: C5H5F3O2Molecular Weight: 154.087210 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: VOKGSDIHTCTXDS-UHFFFAOYSA-N

• (S)-4-Hydroxymethyl butyrolactone
IUPAC Name: 5-(hydroxymethyl)oxolan-2-one | CAS Registry Number: 32780-06-6
Synonyms: (S)-(+)-2',3'-Dideoxyribonolactone, 5-Hydroxymethyldihydrofuran-2-one, NSC128380, 5-(Hydroxymethyl)dihydro-2(3H)-furanone, NSC 128380, 2(3H)-Furanone, dihydro-5-(hydroxymethyl)-, 10374-51-3

Molecular Formula: C5H8O3Molecular Weight: 116.115220 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NSISJFFVIMQBRN-UHFFFAOYSA-N

• 4-Chlororesorcinol
IUPAC Name: 4-chlorobenzene-1,3-diol | CAS Registry Number: 95-88-5
Synonyms: p-Chlororesorcinol, 4-Chlororesorcin, Resorcinol, 4-chloro-, 6-Chlororesorcinol, 1,3-Benzenediol, 4-chloro-, 4-Chloro-1,3-benzenediol, 2,4-Dihydroxychlorobenzene, 4-Chloro-1,3-dihydroxybenzene, WLN: QR CQ DG, C70606_ALDRICH, 1,3-Dihydroxy-4-chlorobenzene, NSC 1569, EINECS 202-462-0, NSC1569, NSC6298, AIDS017781, AIDS-017781, BRN 2042864, ZINC00404336, C.I. 76510

Molecular Formula: C6H5ClO2Molecular Weight: 144.555700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: JQVAPEJNIZULEK-UHFFFAOYSA-N

• 4-Cyanobenzylbromide
IUPAC Name: 4-(bromomethyl)benzonitrile | CAS Registry Number: 17201-43-3
Synonyms: 4-Cyanobenzyl bromide, p-Cyanobenzyl bromide, alpha-Bromo-p-tolunitrile, 4-(Bromomethyl)benzonitrile, .alpha.-Bromo-p-tolunitrile, p-(Bromomethyl)benzonitrile, alpha-Bromo-p-toluonitrile, NCIOpen2_001738, p-Tolunitrile, alpha-bromo-, Benzonitrile, p-(bromomethyl)-, Benzonitrile, 4-(bromomethyl)-, p-Toluonitrile, alpha-bromo-, 144061_ALDRICH, p-Tolunitrile, .alpha.-bromo-, p-Toluonitrile, .alpha.-bromo-, NSC95792, EINECS 241-246-0, NSC 95792, ZINC01621442, ST5214109

Molecular Formula: C8H6BrNMolecular Weight: 196.043940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UMLFTCYAQPPZER-UHFFFAOYSA-N

• 2-Ethyl piperazine
IUPAC Name: 2-ethylpiperazine | CAS Registry Number: 13961-37-0
Synonyms: 2-Ethylpiperazine, Piperazine, 2-ethyl-, SureCN294661, AGN-PC-000DWB, CTK0H4131, MolPort-000-003-682, ANW-75097, RW2926, AKOS005255355, AB13949, AG-D-79790, AM81358, QC-2011, RP00604, AK-64252, KB-23784, FT-0083984, FT-0648133, FT-0652075, ST51053811

Molecular Formula: C6H14N2Molecular Weight: 114.188760 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DXOHZOPKNFZZAD-UHFFFAOYSA-N

• 3-Chlorobenzonitrile
IUPAC Name: 3-chlorobenzonitrile | CAS Registry Number: 766-84-7
Synonyms: m-Chlorobenzonitrile, m-Cyanochlorobenzene, Benzonitrile, 3-chloro-, BENZONITRILE, m-CHLORO-, C24809_ALDRICH, EINECS 212-172-6, Benzonitrile, 3-chloro- (9CI), NSC 59733, NSC59733, ZINC00404318, LS-38652, TL8005257, T5237200, InChI=1/C7H4ClN/c8-7-3-1-2-6(4-7)5-9/h1-4

Molecular Formula: C7H4ClNMolecular Weight: 137.566360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WBUOVKBZJOIOAE-UHFFFAOYSA-N

• 6-Chloro-4-Nitro-2-aminophenol
IUPAC Name: 2-amino-6-chloro-4-nitrophenol | CAS Registry Number: 6358-09-4
Synonyms: 6-Chloro-4-nitro-2-aminophenol, ZERO/005154, EINECS 228-762-1, Phenol, 2-amino-6-chloro-4-nitro-, 2-AMINO-6-CHLORO-4-NITROPHENOL, CID4679699, LS-103884, 62625-14-3

Molecular Formula: C6H5ClN2O3Molecular Weight: 188.568500 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: TWLMSPNQBKSXOP-UHFFFAOYSA-N

• (S)-4-Hydroxy-2-pyrrolidone
IUPAC Name: (4S)-4-hydroxypyrrolidin-2-one | CAS Registry Number: 68108-18-9
Synonyms: 4-hydroxypyrrolidin-2-one, 2-Pyrrolidinone, 4-hydroxy-, 479179_ALDRICH, (S)-beta-Hydroxy-gamma-butyrolactam, 2-Pyrrolidinone, 4-hydroxy-, (4S)-, (S)-(−)-4-Hydroxy-2-pyrrolidinone, InChI=1/C4H7NO2/c6-3-1-4(7)5-2-3/h3,6H,1-2H2,(H,5,7

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: IOGISYQVOGVIEU-VKHMYHEASA-N

• 1,2-Diphenylethylenediamine
IUPAC Name: 1,2-di(phenyl)ethane-1,2-diamine | CAS Registry Number: 16635-95-3
Synonyms: Oprea1_080851, ghl.PD_Mitscher_leg0.530, meso-1,2-Diphenylethylenediamine, 1,2-Diphenyl-1,2-ethanediamine, 458511_ALDRICH, 1,2-Ethanediamine, 1,2-diphenyl-, 1,2-Diamino-1,2-diphenylethane, NSC167211, NSC167312, NSC180201, 1,2-Ethanediamine, 1,2-diphenyl-, (R*,S*)-, 5700-60-7, 951-87-1

Molecular Formula: C14H16N2Molecular Weight: 212.290240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: PONXTPCRRASWKW-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

• 4-Fluorophenylacetic Acid
IUPAC Name: 2-(4-fluorophenyl)acetic acid | CAS Registry Number: 405-50-5
Synonyms: p-Fluorophenylacetic acid, (4-Fluorophenyl)acetic acid, Benzeneacetic acid, 4-fluoro-, 4-FLUOROPHENYLACETIC ACID, (p-Fluorophenyl)acetic acid, Maybridge1_006666, Acetic acid, (p-fluorophenyl)-, F13304_ALDRICH, 2-(4-Fluorophenyl)acetic acid, NSC402, Ba 2821, 47350_FLUKA, NSC 402, BB_SC-4533, EINECS 206-972-4, Acetic acid, (p-fluorophenyl)- (8CI), F222, TL806324, AI3-52627

Molecular Formula: C8H7FO2Molecular Weight: 154.138383 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MGKPFALCNDRSQD-UHFFFAOYSA-N


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