Hallochem Pharma Co., Ltd.

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Profile: Hallochem Pharma Co., Ltd specializes in active pharmaceutical ingredients (API), veterinary drugs, agrochemicals, biochemicals, intermediates, and specialty chemicals. Our products include 10-deacetylbaccatin, 3-nitrosobenzamide, 6-mercaptopurine, abacavir, acebutolol hydrochloride, aceclofenac, aceglutamide aluminum, acemetacin, aciclovir, acipimox, and acitretin.

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• 4-Hydroxyphenyl amine

IUPAC Name: 4-(anilino)phenol | CAS Registry Number: 122-37-2
Synonyms: p-Anilinophenol, 4-Anilinophenol, p-Oxydiphenylamine, p-Hydroxydiphenylamine, Phenyl-p-aminophenol, Phenol, p-anilino-, 4-Phenylaminophenol, Phenol, 4-(phenylamino)-, 4-Hydroxydiphenylamine, N-Phenyl-p-aminophenol, p-Hydroxydifenylamin, P-ANILINO-PHENOL, Diphenylamine, 4-hydroxy-, p-(Phenylamino)phenol, VTI 1, WLN: QR DMR, p-Hydroxydifenylamin [Czech], para-Hydroxydifenylamin [Czech], Oprea1_025350, NSC1543

Molecular Formula:	C₁₂H₁₁NO	Molecular Weight:	185.221840 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: JTTMYKSFKOOQLP-UHFFFAOYSA-N

• 5-Chloroisatin

IUPAC Name: 5-chloro-1H-indole-2,3-dione | CAS Registry Number: 17630-76-1
Synonyms: 5-Chloro-1H-indole-2,3-dione, 5-CHLORO ISATIN, Isatin-based compound, 33, 1H-Indole-2,3-dione, 5-chloro-, 140562_ALDRICH, AIDS163138, AIDS-163138, EINECS 241-614-0, NSC135811, SBB003741, ZINC01722141, NSC 135811, 1H-Indole-2,3-dione, 5-chloro- (9CI), C-5120, AE-848/31767042, InChI=1/C8H4ClNO2/c9-4-1-2-6-5(3-4)7(11)8(12)10-6/h1-3H,(H,10,11,12

Molecular Formula:	C₈H₄ClNO₂	Molecular Weight:	181.575860 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: XHDJYQWGFIBCEP-UHFFFAOYSA-N

• 2,6- Dimethylmorpholine

IUPAC Name: 2,6-dimethylmorpholine | CAS Registry Number: 141-91-3
Synonyms: 2,6-Dimethylmorpholine, Morpholine, 2,6-dimethyl-, 2,6-DIMETHYL MORPHOLINE, cis-2,6-Dimethylmorpholine, 2,6-Dimethylmorfolin [Czech], CCRIS 5910, HSDB 4343, 126527_ALDRICH, EINECS 205-509-3, WLN: T6M DOTJ C1 E1, NSC 60704, Morpholine, 2,6-dimethyl-, cis-, NSC60704, BRN 0103036, EINECS 229-353-0, LS-834, 2,6-Dimethyl-2,3,5,6-tetrahydro-4H-1,4-oxazine, ST5214583, 4-27-00-00674 (Beilstein Handbook Reference), 6485-55-8

Molecular Formula:	C₆H₁₃NO	Molecular Weight:	115.173520 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: HNVIQLPOGUDBSU-UHFFFAOYSA-N

• 4-(phenylamino)-1-(phenylmethyl)piperidine-4-carboxylic acid

IUPAC Name: 4-(anilino)-1-(phenylmethyl)piperidine-4-carboxylic acid | CAS Registry Number: 85098-64-2
Synonyms: NSC73748, NCIStruc1_001410, NCIStruc2_001530, Oprea1_065627, Oprea1_466880, AIDS125477, AIDS-125477, CID43544, NCI73748, EINECS 285-415-7, NCGC00013811, NSC 73748, NSC-73748, NCGC00096921-01, NCI60_041615, 4-Anilino-1-benzyl-4-piperidinecarboxylic acid, T001349, 1-Benzyl-4-(phenylamino)piperidine-4-carboxylic acid, 6382-34-9

Molecular Formula:	C₁₉H₂₂N₂O₂	Molecular Weight:	310.390180 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: YFSCBWDAVTYIMM-UHFFFAOYSA-N

• 2,2,2-trichloroethanol

IUPAC Name: 2,2,2-trichloroethanol | CAS Registry Number: 115-20-8
Synonyms: Trichloroethanol, Trichlorethanol, Trichloroethyl alcohol, 2,2,2-TRICHLOROETHANOL, 4yas, Ethanol, 2,2,2-trichloro-, 2,2,2-Trichloro-1-ethanol, .beta.-Trichloroethanol, (Hydroxymethyl)trichloromethane, 2,2,2-Trichloroethyl alcohol, WLN: Q1XGGG, C2H3Cl3O, CCRIS 6763, T54801_ALDRICH, CHEBI:28094, EINECS 204-071-0, NSC 66407, .beta.,.beta.,.beta-Trichloroethanol, ETHANOL,2,2,2-TRICHLORO, CPD-9673

Molecular Formula:	C₂H₃Cl₃O	Molecular Weight:	149.403620 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: KPWDGTGXUYRARH-UHFFFAOYSA-N

• 1,4-Dichloro-2-Butanol

IUPAC Name: 1,4-dichlorobutan-2-ol | CAS Registry Number: 2419-74-1
Synonyms: 1,4-Dichloro-2-butanol, 1,4-Dichlorobutan-2-ol, 2-Butanol, 1,4-dichloro-, CID17021, EINECS 219-339-2

Molecular Formula:	C₄H₈Cl₂O	Molecular Weight:	143.011720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: CKNNDWZSFAPUJS-UHFFFAOYSA-N

• 2,5-Dimethylhexane-2,5-Dihydroperoxide

IUPAC Name: 2,5-dihydroperoxy-2,5-dimethylhexane | CAS Registry Number: 3025-88-5
Synonyms: Luperox 2,5-2,5, 2,5-Dimethylhexane-2,5-dihydroperoxide, EINECS 221-184-0, CID520470, 2,5-Dimethylhexane 2,5-dihydroperoxide, B-3480, Hydroperoxide, (1,1,4,4-tetramethyl-1,4-butanediyl)bis-, Dimethylhexane dihydroperoxide (dry) [Forbidden], 2,5-Dimethyl-2,5-dihydroperoxyhexane, >82% with water [Forbidden], Hydroperoxide, 1,1'-(1,1,4,4-tetramethyl-1,4-butanediyl)bis-

Molecular Formula:	C₈H₁₈O₄	Molecular Weight:	178.226120 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: JGBAASVQPMTVHO-UHFFFAOYSA-N

• 2,5-Hexanediol

IUPAC Name: hexane-2,5-diol | CAS Registry Number: 2935-44-6
Synonyms: Diisopropanol, 2,5-HEXANEDIOL, 2,5-Dihydroxyhexane, 2,4-Hexanediol, 2,5-Hexylene glycol, 2,5-Hexanediol solution, H11904_ALDRICH, WLN: QY1&2YQ1, 2,5-Hexanediol 3 M solution, NSC 3699, 50788_FLUKA, 50788_SIGMA, EINECS 220-910-3, NSC3699, CID18049, BRN 1719248, ZINC00388715, AI3-07556, LS-75085, 4-01-00-02562 (Beilstein Handbook Reference)

Molecular Formula:	C₆H₁₄O₂	Molecular Weight:	118.174160 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: OHMBHFSEKCCCBW-UHFFFAOYSA-N

• 2-(Chloromethyl)-1-methyl-4-nitrobenzene

IUPAC Name: 2-(chloromethyl)-1-methyl-4-nitrobenzene | CAS Registry Number: 58966-24-8
Synonyms: MolPort-003-662-651, ZINC03848594, CID187952

Molecular Formula:	C₈H₈ClNO₂	Molecular Weight:	185.607620 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: HBCZMIJXNQCIDC-UHFFFAOYSA-N

• 1 4-Cyclohexanediol

IUPAC Name: cyclohexane-1,4-diol | CAS Registry Number: 556-48-9
Synonyms: Quinitol, 1,4-CYCLOHEXANEDIOL, Hexahydrohydroquinone, trans-1,4-Cyclohexanediol, cis-1,4-Cyclohexanediol, 1,4-Cyclohexanediol, trans-, 1,4-Cyclohexanediol, cis-, Cyclohexane-1,4-diol, trans-1,4-Dihydroxycyclohexane, C101206_ALDRICH, 29040_FLUKA, NSC5651, NSC5730, AIDS017552, AIDS-017552, CID11162, NSC 5730, EINECS 209-126-2, EINECS 213-240-8, 1,4-CYCLOHEXANEDIOL (Cis-trans)

Molecular Formula:	C₆H₁₂O₂	Molecular Weight:	116.158280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: VKONPUDBRVKQLM-UHFFFAOYSA-N

• 1-Bromododecane

IUPAC Name: 1-bromododecane | CAS Registry Number: 143-15-7
Synonyms: Dodecyl bromide, n-Dodecyl bromide, Lauryl bromide, Dodecane, 1-bromo-, 1-BROMO-N-DODECANE, B65551_ALDRICH, 16970_FLUKA, 17743_FLUKA, CID8919, NSC6786, NSC 6786, EINECS 205-587-9, AI3-02166

Molecular Formula:	C₁₂H₂₅Br	Molecular Weight:	249.230900 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: PBLNBZIONSLZBU-UHFFFAOYSA-N

• 1-Bromopentane

IUPAC Name: 1-bromopentane | CAS Registry Number: 110-53-2
Synonyms: n-Amyl bromide, Pentyl bromide, Amyl bromide, Pentane, 1-bromo-, 1-BROMOPENTANE, n-Pentyl bromide, 1-Pentyl bromide, 117811_ALDRICH, NSC 7895, 17920_FLUKA, EINECS 203-776-0, NSC7895, AI3-17813, LS-101546, InChI=1/C5H11Br/c1-2-3-4-5-6/h2-5H2,1H, 5BR

Molecular Formula:	C₅H₁₁Br	Molecular Weight:	151.044840 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: YZWKKMVJZFACSU-UHFFFAOYSA-N

• 2-Methoxy Propylene

IUPAC Name: 2-methylprop-1-ene | CAS Registry Number: 115-11-7
Synonyms: Isobutene, Methylpropene, 2-Methylpropene, gamma-Butylene, ISOBUTYLENE, 2-Methylpropylene, Propene, 2-methyl-, Isobutene trimer, 1-Propene, 2-methyl-, 2-Methyl-1-propene, Isopropylidenemethylene, sym-Dimethylethylene, 1,1-Dimethylethylene, Poly(isobutylene), 1,1-Dimethylethene, 2-methylprop-1-ene, unsym. dimethylethylene, POLYISOBUTYLENE, Hydrocarbons, C2-4, isobutylene, various grades

Molecular Formula:	C₄H₈	Molecular Weight:	56.106320 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: VQTUBCCKSQIDNK-UHFFFAOYSA-N

• 3,4-Dichlorophenyl Isocyanate

IUPAC Name: 1,2-dichloro-4-isocyanatobenzene | CAS Registry Number: 102-36-3
Synonyms: 3,4-DICHLOROPHENYL ISOCYANATE, Benzene, 1,2-dichloro-4-isocyanato-, 1,2-Dichloro-4-isocyanatobenzene, HSDB 5348, 245607_ALDRICH, 3,4-Dichlorfenylisokyanat [Czech], EINECS 203-026-2, NSC 76605, Isocyanic acid, 3,4-dichlorophenyl ester, NSC76605, BRN 0608325, STK301773, ZINC01707972, AI3-28284, NCGC00090976-01, LS-84442, 3-12-00-01405 (Beilstein Handbook Reference)

Molecular Formula:	C₇H₃Cl₂NO	Molecular Weight:	188.010820 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: MFUVCHZWGSJKEQ-UHFFFAOYSA-N

• 4-Chloro Methyl Benzoic Acid

IUPAC Name: 4-(chloromethyl)benzoic acid | CAS Registry Number: 1642-81-5
Synonyms: 4-(Chloromethyl)benzoic acid, C8H7ClO2, alpha-Chloro-p-toluic acid, .alpha.-Chloro-p-toluylic acid, alpha-Chloro-p-toluylic acid, Benzoic acid, 4-(chloromethyl)-, 270792_ALDRICH, EINECS 216-697-1, NSC123935, ST5214159, InChI=1/C8H7ClO2/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4H,5H2,(H,10,11

Molecular Formula:	C₈H₇ClO₂	Molecular Weight:	170.592980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: OITNBJHJJGMFBN-UHFFFAOYSA-N

• 4-Chlorobenzhydrylchloride

IUPAC Name: 1-chloro-4-[chloro(phenyl)methyl]benzene | CAS Registry Number: 134-83-8
Synonyms: 4-Chlorobenzhydryl chloride, p-Chlorobenzhydryl chloride, 103314_ALDRICH, Methane, chloro(p-chlorophenyl)phenyl-, Chloro(p-chlorophenyl)phenylmethane, Chloro(4-chlorophenyl)phenylmethane, NSC49126, Benzene, 1-chloro-4-(chlorophenylmethyl)-

Molecular Formula:	C₁₃H₁₀Cl₂	Molecular Weight:	237.124500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: ALKWTKGPKKAZMN-UHFFFAOYSA-N

• 3-Methoxyacetophenone

IUPAC Name: 1-(3-methoxyphenyl)ethanone | CAS Registry Number: 586-37-8
Synonyms: 3-Acetylanisole, m-Acetanisole, m-Methoxyacetophenone, 3'-Methoxyacetophenone, Acetophenone, 3'-methoxy-, Acetophenone, m-methoxy-, Ethanone, 1-(3-methoxyphenyl)-, M9408_ALDRICH, NCIOpen2_000067, 1-(3-METHOXYPHENYL)ETHANONE, Acetophenone, 3'-methoxy- (8CI), NSC65593, EINECS 209-573-3, NSC 65593, ZINC01692471, Ethanone, 1-(3-methoxyphenyl)- (9CI), AI3-26011, ST5213410, InChI=1/C9H10O2/c1-7(10)8-4-3-5-9(6-8)11-2/h3-6H,1-2H

Molecular Formula:	C₉H₁₀O₂	Molecular Weight:	150.174500 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: BAYUSCHCCGXLAY-UHFFFAOYSA-N

• 2,2,2-Trichloroethyl Chloroformate

IUPAC Name: 2,2,2-trichloroethyl carbonochloridate | CAS Registry Number: 17341-93-4
Synonyms: Trichloroethyl chloroformate, 2,2,2-Trichloroethyl chloroformate, 142077_ALDRICH, 2,2,2-Trichloroethoxycarbonyl chloride, 23258_FLUKA, CID87063, EINECS 241-363-7, NSC152038, ZINC01555770, Carbonochloridic acid, 2,2,2-trichloroethyl ester, NSC 152038, Formic acid, chloro-, 2,2,2-trichloroethyl ester, Formic acid, chloro-, 2,2,2-trichloroethyl ester (8CI)

Molecular Formula:	C₃H₂Cl₄O₂	Molecular Weight:	211.858780 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	2

InChIKey: LJCZNYWLQZZIOS-UHFFFAOYSA-N

• 3,5-Diiodo-N-acetyl-L-tyrodine

IUPAC Name: 2-acetamido-3-(4-hydroxy-3,5-diiodophenyl)propanoic acid | CAS Registry Number: 1027-28-7
Synonyms: N-Acetyl-3,5-diiodo-L-tyrosine, L-Tyrosine, N-acetyl-3,5-diiodo-, NSC76100, EINECS 213-837-3, AI3-62313

Molecular Formula:	C₁₁H₁₁I₂NO₄	Molecular Weight:	475.018280 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: CDXURJOCZAIXFK-UHFFFAOYSA-N

• 2,2'-Diamino diphenyl disulfide

IUPAC Name: 2-(2-aminophenyl)disulfanylaniline | CAS Registry Number: 1141-88-4
Synonyms: Intramine, 2,2'-Dithiodianiline, Aniline, 2,2'-dithiodi-, 2-Aminophenyl disulfide, o,o-Dithio-bis-aniline, Benzenamine, 2,2'-dithiobis-, Bis(2-aminophenyl) disulfide, Bis(o-aminophenyl) disulfide, 2,2'-Diaminodiphenyl disulfide, 2,2'-Dithiobis(aniline), USAF AB-315, Bis(2-aminophenyl)disulfide, o,o'-Diaminodiphenyl disulfide, Disulfide, bis(2-aminophenyl), o,o-Dithio-bis(aniline), WLN: ZR BSSR BZ, 2,2'-Diaminodiphenyldisulfide, Disulfide, bis(o-aminophenyl)-, o,o'-Diamino diphenyl disulfide, ANILINE, 2,2'-DITHIOBIS-

Molecular Formula:	C₁₂H₁₂N₂S₂	Molecular Weight:	248.367080 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: YYYOQURZQWIILK-UHFFFAOYSA-N

• 2-Methyl-3,5-dinitrobenzamide

IUPAC Name: 2-methyl-3,5-dinitrobenzamide | CAS Registry Number: 148-01-6
Synonyms: dinitolmide, Coccidot, Zoamix, Coccidine A, Dinitrotoluamide, Zoalene [ANSI], Caswell No. 932, Methyldinitrobenzamide, 3,5-Dinitro-o-toluamide, Spectrum_001272, Dinitolmidum [INN-Latin], Dinitolmida [INN-Spanish], Dinitolmide [BAN:INN], Dinitolmide [INN:BAN], Spectrum2_000677, Spectrum3_001545, Spectrum4_000732, Spectrum5_001231, o-Toluamide, 3,5-dinitro-, BSPBio_002990

Molecular Formula:	C₈H₇N₃O₅	Molecular Weight:	225.158280 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	5

InChIKey: ZEFNOZRLAWVAQF-UHFFFAOYSA-N

• 5-Bromopentanoic acid

IUPAC Name: 5-bromopentanoic acid | CAS Registry Number: 2067-33-6
Synonyms: 5-Bromovaleric acid, Pentanoic acid, 5-bromo-, Valeric acid, 5-bromo-, delta-Bromovaleric acid, 5-BROMOPENTANOIC ACID, .delta.-Bromovaleric acid, 158410_ALDRICH, NSC53507, EINECS 218-185-3, NSC 53507, AI3-11743, TL8001707, B-9250

Molecular Formula:	C₅H₉BrO₂	Molecular Weight:	181.027760 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WNXNUPJZWYOKMW-UHFFFAOYSA-N

• 2',4',6'-Trihydroxypropiophenone

IUPAC Name: 1-(2,4,6-trihydroxyphenyl)propan-1-one | CAS Registry Number: 2295-58-1
Synonyms: flopropione, Chlonarin, Flopropion, Gasstenon, Cospanon, Labrodax, Supanate, Supazlun, Argobyl, Ecapron, Labroda, Phloropropionone, Labrodax supanate, Phloropropiophenone, Propiophloroglucine, Ephtanon, Propionylphloroglucinol, Ephtanon (TN), Ambap7630, Spectrum_000563

Molecular Formula:	C₉H₁₀O₄	Molecular Weight:	182.173300 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	4

InChIKey: PTHLEKANMPKYDB-UHFFFAOYSA-N

• 1-hexyn-3-ol

IUPAC Name: hex-1-yn-3-ol | CAS Registry Number: 105-31-7
Synonyms: Propylethinylcarbinol, 1-Hexyne-3-ol, 3-Hydroxy-1-hexyne, 1-HEXYN-3-OL, 1-Propylpropargyl alcohol, 537764_ALDRICH, EINECS 203-286-7, NSC 244896, BRN 1739419, NSC244896, AI3-25134, LS-75762, ST5409705, 4-01-00-02234 (Beilstein Handbook Reference), 15352-98-4

Molecular Formula:	C₆H₁₀O	Molecular Weight:	98.143000 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: LTFTWJYRQNTCHI-UHFFFAOYSA-N

• 2,3-Dihydro-2,2-dimethyl-7-benzofuranol

IUPAC Name: 2,2-dimethyl-3H-1-benzofuran-7-ol | CAS Registry Number: 1563-38-8
Synonyms: Carbofuran phenol, Carbofuranphenol, Carbofuran 7-phenol, Carbofuran-7-phenol, RCRA waste no. U367, HSDB 5839, 347256_ALDRICH, CCRIS 9206, CHEBI:38474, EINECS 216-350-4, 7-Benzofuranol, 2,3-dihydro-2,2-dimethyl-, NIA 10272, AIDS170430, BB_NC-0467, AIDS-170430, ZINC03881547, 2,3-Dihydro-2,2-dimethylbenzofuran-7-ol, CID15278, 2,3-DIHYDRO-2,2-DIMETHYL-7-BENZOFURANOL, AI3-27488

Molecular Formula:	C₁₀H₁₂O₂	Molecular Weight:	164.201080 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: WJGPNUBJBMCRQH-UHFFFAOYSA-N

• 2-Methyl-4-hydroxy-2H-1,2-benzothiazine-3-carboxylic acid ethyl ester1,1-dioxide

IUPAC Name: (3E)-3-[ethoxy(hydroxy)methylidene]-2-methyl-1,1-dioxobenzo[e]thiazin-4-one | CAS Registry Number: 24683-26-9
Synonyms: EINECS 246-403-7, CID5484087, LS-40552, Ethyl 4-hydroxy-2-methyl-2H-1,2-benzothiazine-3-carboxylate 1,1-dioxide, 2H-1,2-Benzothiazine-3-carboxylic acid, 4-hydroxy-2-methyl-, ethyl ester, 1,1-dioxide

Molecular Formula:	C₁₂H₁₃NO₅S	Molecular Weight:	283.300320 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	6

InChIKey: LIZCYJKOYSQZFD-ZRDIBKRKSA-N

• 4,4-Bis(4-fluorophenyl)butyric acid

IUPAC Name: 4,4-bis(4-fluorophenyl)butanoic acid | CAS Registry Number: 20662-52-6
Synonyms: EINECS 243-949-8

Molecular Formula:	C₁₆H₁₄F₂O₂	Molecular Weight:	276.277966 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: CZNWJIAAVVXYFS-UHFFFAOYSA-N

• 4-Hydroxy-3-benzylcoumarin

IUPAC Name: 2-hydroxy-3-(phenylmethyl)chromen-4-one | CAS Registry Number: 15074-18-7
Synonyms: 3Bz-4OHBzpyran2one, 4OH-Coumarin deriv., 4-hydroxy-coumarin 8, CBMicro_020160, Oprea1_155335, Oprea1_579559, AIDS006165, 3-Benzyl-4-hydroxy-chromen-2-one, AIDS-006165, 3-Benzyl-4-hydroxybenzopyran-2-one, CID455535, ZINC00135355, BAS 00395016, BIM-0020121.P001, ST5433925

Molecular Formula:	C₁₆H₁₂O₃	Molecular Weight:	252.264680 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: DRNCLLOPWVCWGB-UHFFFAOYSA-N

• 4-amino-2-methoxybenzoic acid

IUPAC Name: 4-amino-2-methoxybenzoic acid | CAS Registry Number: 2486-80-8
Synonyms: 4-Amino-o-anisic acid, 4-Amino-2-methoxybenzoic acid, Oprea1_049290, MLS000544884, 647624_ALDRICH, AIDS020084, AIDS-020084, EINECS 219-632-5, NSC208766, 4-amino-2-methoxybenzenecarboxylic acid, SMR000126641, 11P-705

Molecular Formula:	C₈H₉NO₃	Molecular Weight:	167.161960 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	4

InChIKey: OLJXRTRRJSMURJ-UHFFFAOYSA-N

• 10-Hydroxydecanoic acid

IUPAC Name: 10-hydroxydecanoic acid | CAS Registry Number: 1679-53-4
Synonyms: 10-Hydroxydecanoate, 10-hydroxy capric acid, 10-hydroxy-decanoic acid, Decanoic acid, 10-hydroxy-, 379700_ALDRICH, CHEBI:17409, NSC15139, EINECS 216-848-1, LMFA01050033, C02774

Molecular Formula:	C₁₀H₂₀O₃	Molecular Weight:	188.264000 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: YJCJVMMDTBEITC-UHFFFAOYSA-N

• 4'-Nitroacetanilide

IUPAC Name: N-(4-nitrophenyl)acetamide | CAS Registry Number: 104-04-1
Synonyms: P-Nitroacetanilide, p-Acetamidonitrobenzene, Acetanilide, p-nitro-, Acetanilide, 4'-nitro-, p-Nitrophenylacetanilide, 4-NITROACETANILIDE, N-Acetyl-p-nitroaniline, N-Acetyl-4-nitroaniline, N-(4-Nitrophenyl)acetamide, Acetamide, N-(4-nitrophenyl)-, Maybridge1_001346, WLN: WNR DMV1, Acetic acid 4-nitroanilide, CCRIS 5566, 130648_ALDRICH, NSC 1315, EINECS 203-169-0, NSC1315, Acetanilide, 4'-nitro- (8CI), STK004304

Molecular Formula:	C₈H₈N₂O₃	Molecular Weight:	180.160720 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: NQRLPDFELNCFHW-UHFFFAOYSA-N

• 3-Bromopyruvic Acid

IUPAC Name: 3-bromo-2-oxopropanoic acid | CAS Registry Number: 1113-59-3
Synonyms: bromopyruvic acid, bromopyruvate, 3-bromopyruvic acid, 3-bromopyruvate, Pyruvic acid, bromo-, 3-bromo-2-oxopropanoic acid, 3-Bromo-2-oxopropionic acid, .beta.-Bromopyruvic acid, C3H3BrO3, Propanoic acid, 3-bromo-2-oxo-, NCIOpen2_000241, 16490_FLUKA, EINECS 214-206-5, NSC 11731, NSC 62343, NSC11731, NSC62343, BRN 1746786, LS-139787, 3-03-00-01167 (Beilstein Handbook Reference)

Molecular Formula:	C₃H₃BrO₃	Molecular Weight:	166.958120 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PRRZDZJYSJLDBS-UHFFFAOYSA-N

• 2-Methyl-4'-(methylthio)-2-Morpholinopropiophenone

IUPAC Name: 2-methyl-1-(4-methylsulfanylphenyl)-2-morpholin-4-ylpropan-1-one | CAS Registry Number: 71868-10-5
Synonyms: MLS000084908, 405639_ALDRICH, CID92387, SMR000019254, ST5319490, EU-0035716, 2-Methyl-4'-(methylthio)-2-morpholinopropiophenone, 2-Methyl-1-[4-(methylsulfanyl)phenyl]-2-(4-morpholinyl)-1-propanone, 2-methyl-1-[4-(methylsulfanyl)phenyl]-2-morpholin-4-ylpropan-1-one, 2-methyl-1-[4-(methylthio)phenyl]-2-morpholin-4-ylpropan-1-one, 1-Propanone, 2-methyl-1-(4-(methylthio)phenyl)-2-(4-morpholinyl)-, 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-4-morpholinyl)-, 1-Propanone, 2-methyl-1-[4-(methylthio)phenyl]-2-(4-morpholinyl)-, 123584-61-2, 125732-34-5

Molecular Formula:	C₁₅H₂₁NO₂S	Molecular Weight:	279.397740 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	3

InChIKey: LWRBVKNFOYUCNP-UHFFFAOYSA-N

• 3-Aminopropionitrile

IUPAC Name: 3-aminopropanenitrile | CAS Registry Number: 151-18-8
Synonyms: 3-aminopropionitrile, 3-Aminopropanenitrile, Aminopropionitrile, 2-Cyanoethylamine, beta-Alaninenitrile, BAPN, beta-Cyanoethylamine, 3-Aminopropiononitrile, beta-Alaminenitrile, Propionitrile, 3-amino-, beta-Aminoethyl cyanide, Propanenitrile, 3-amino-, .beta.-Alaninenitrile, BETA-AMINOPROPIONITRILE, .beta.-Cyanoethylamine, .beta.-Aminopropionitrile, H2NCH2CH2CN, Lopac-A-3134, WLN: Z2CN, Lopac0_000055

Molecular Formula:	C₃H₆N₂	Molecular Weight:	70.093140 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: AGSPXMVUFBBBMO-UHFFFAOYSA-N

• 4-Aminophenol

IUPAC Name: 4-aminophenol | CAS Registry Number: 123-30-8
Synonyms: 4-aminophenol, p-aminophenol, 4-hydroxyaniline, p-hydroxyaniline, Certinal, Paranol, Citol, Azol, 4-aminobenzenol, Phenol, 4-amino-, Activol, Rodinal, Phenol, p-amino-, Fouramine P, Benzofur P, Fourrine P Base, Pelagol P Base, Tertral P Base, Ursol P, Furro P Base

Molecular Formula:	C₆H₇NO	Molecular Weight:	109.125880 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: PLIKAWJENQZMHA-UHFFFAOYSA-N

• 8-Azaguanine

IUPAC Name: 5-amino-2,3-dihydrotriazolo[4,5-d]pyrimidin-7-one | CAS Registry Number: 134-58-7
Synonyms: Azaguanine, Guanazolo, Triazologuanine, Pathocidin, Pathocidine, Guanazol, 8-AZAGUANINE, Azan, Azaguanine-8, Prestwick_40, AZAGUANINE,8, nchembio.156-comp2, 8 AG, Prestwick0_000001, Prestwick1_000001, Prestwick2_000001, Prestwick3_000001, NSC749, NCIMech_000065, NSC-749

Molecular Formula:	C₄H₄N₆O	Molecular Weight:	152.114160 [g/mol]
H-Bond Donor:	3	H-Bond Acceptor:	6

InChIKey: LPXQRXLUHJKZIE-UHFFFAOYSA-N

• 6-Benzylaminopurine

IUPAC Name: N-(phenylmethyl)-7H-purin-6-amine | CAS Registry Number: 1214-39-7
Synonyms: N-Benzyladenine, Benzyladenine, N6-Benzyladenine, 6-Benzyladenine, Benzylaminopurine, Cytokinin B, Adenine, N-benzyl-, 6-(Benzylamino)purine, Pro-Shear, 6-Benzyl adenine, BAP (cytokinin), BA (Growth stimulant), N(6)-Benzylaminopurine, BAP (growth stimulant), Prestwick_414, Aminopurine, 6-benzyl, Caswell No. 081EE, Verdan senescence inhibitor, N(sup 6)-Benzyladenine, Benzyl(purin-6-yl)amine

Molecular Formula:	C₁₂H₁₁N₅	Molecular Weight:	225.249240 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: NWBJYWHLCVSVIJ-UHFFFAOYSA-N

• 4-Aminobenzamidine Dihydrochloride

IUPAC Name: 4-aminobenzenecarboximidamide dihydrochloride | CAS Registry Number: 2498-50-2
Synonyms: Ambap7531, 4-Aminobenzamidine dihydrochloride, p-Aminobenzamidine dihydrochloride, 857661_ALDRICH, 06880_FLUKA, EINECS 219-692-2, Benzamidine, p-amino-, dihydrochloride, 4-Aminobenzenecarboximidamide dihydrochloride, NCGC00093580-01, LS-27460, Benzenecarboximidamide, 4-amino-, dihydrochloride, EU-0100070, C11628

Molecular Formula:	C₇H₁₁Cl₂N₃	Molecular Weight:	208.088340 [g/mol]
H-Bond Donor:	5	H-Bond Acceptor:	3

InChIKey: GHEHNICLPWTXJC-UHFFFAOYSA-N

• 4-Nitro-M-Cresol

IUPAC Name: 3-methyl-4-nitrophenol | CAS Registry Number: 2581-34-2
Synonyms: 4-Nitro-m-cresol, 3-Methyl-4-nitrophenol, m-Cresol, 4-nitro-, 4-Nitro-3-cresol, 2-Nitro-5-hydroxytoluene, 5-Hydroxy-2-nitrotoluene, 4-Nitro-5-methylphenol, Phenol, 3-methyl-4-nitro-, 4-Nitro-3-methylphenol, P-NITRO-M-CRESOL, MET678B_SUPELCO, WLN: WNR DQ B1, M62654_ALDRICH, 4-Nitro-1-hydroxy-3-methylbenzene, CHEBI:38683, EINECS 219-952-5, NSC 69190, NSC69190, BRN 1868105, AI3-19030

Molecular Formula:	C₇H₇NO₃	Molecular Weight:	153.135380 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	3

InChIKey: PIIZYNQECPTVEO-UHFFFAOYSA-N

• 2,2'-Dihydroxybiphenyl

IUPAC Name: 2-(2-hydroxyphenyl)phenol | CAS Registry Number: 1806-29-7
Synonyms: o,o'-Diphenol, o-Dihydroxydiphenyl, O,O'-Biphenol, 2,2'-Biphenyldiol, o,o'-Dihydroxybiphenyl, Biphenyl-2,2'-diol, 2,2'-Dihydroxydiphenyl, 2,2'-BIPHENOL, 2,2'-Diphenol, [1,1'-Biphenyl]-2,2'-diol, WLN: QR BR BQ, CCRIS 2980, 2-(2-hydroxyphenyl)-phenol, (1,1'-Biphenyl)-2,2'-diol, 115819_ALDRICH, CHEBI:28970, EINECS 217-303-0, [1,1'-Biphenyl]-ar,ar'-diol, 2,2'-Dihydroxy-1,1'-biphenyl, NSC 37068

Molecular Formula:	C₁₂H₁₀O₂	Molecular Weight:	186.206600 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: IMHDGJOMLMDPJN-UHFFFAOYSA-N

• 3-Phenyl-1-propanol

IUPAC Name: 3-phenylpropan-1-ol | CAS Registry Number: 122-97-4
Synonyms: Benzenepropanol, Phenylpropanol, Hydrocinnamyl alcohol, 3-Phenylpropanol, 3-Benzenepropanol, Hydrocinnamic alcohol, 3-Phenylpropyl alcohol, Benzylethyl alcohol, 3-Phenyl-n-propanol, 1-Propanol, 3-phenyl-, gamma-Phenylpropanol, Phenylpropyl alcohol, 3-Phenylpropan-1-ol, 3-Phenylpropanol-1, Propanol, phenyl-, Dihydrocinnamal alcohol, (3-Hydroxypropyl)benzene, 3-PHENYL-1-PROPANOL, 1-Propanol, phenyl-, .gamma.-Phenylpropanol

Molecular Formula:	C₉H₁₂O	Molecular Weight:	136.190980 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	1

InChIKey: VAJVDSVGBWFCLW-UHFFFAOYSA-N

• 1,3-Dibromo Adamantane

IUPAC Name: 1,3-dibromoadamantane | CAS Registry Number: 876-53-9
Synonyms: 1,3-Dibromoadamantane, Ambap3585, Maybridge1_002445, Adamantane, 1,3-dibromo-, NCIOpen2_007028, DivK1c_001197, 403083_ALDRICH, NSC102289, CDS1_000157, ST5052979, EU-0000287, Tricyclo[3.3.1.13,7]decane, 1,3-dibromo-

Molecular Formula:	C₁₀H₁₄Br₂	Molecular Weight:	294.026160 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	0

InChIKey: HLWZKLMEOVIWRK-UHFFFAOYSA-N

• 2,3-Dichloro Anisole

IUPAC Name: 1,2-dichloro-3-methoxybenzene | CAS Registry Number: 1984-59-4
Synonyms: 2,3-Dichloroanisole, 1,2-Dichloro-3-methoxybenzene, 2,3-DICHLOROANISOL, Benzene, 1,2-dichloro-3-methoxy-, 156752_ALDRICH, 1,2-Dichloro-3-methoxy-benzene, EINECS 217-853-1, ZINC00388360, ST5406725, InChI=1/C7H6Cl2O/c1-10-6-4-2-3-5(8)7(6)9/h2-4H,1H

Molecular Formula:	C₇H₆Cl₂O	Molecular Weight:	177.027940 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	1

InChIKey: HFEASCCDHUVYKU-UHFFFAOYSA-N

• 3,4-Dimethoxy Cinnamic Acid

IUPAC Name: (E)-3-(3,4-dimethoxyphenyl)prop-2-enoic acid | CAS Registry Number: 2316-26-9
Synonyms: Dimethyl caffeic acid, Dimethylcaffeic acid, Caffeic acid dimethyl ether, Spectrum5_000142, 3,4-DIMETHOXYCINNAMIC ACID, 3, 4-Dimethoxycinnamic acid, BSPBio_001672, SPECTRUM210567, MLS000570053, D133809_ALDRICH, SPECTRUM1505130, NSC4323, ARONIS023564, Cinnamic acid, 3,4-dimethoxy-, AIDS021439, AIDS-021439, ALBB-004705, NSC43569, (E)-3',4'-Dimethoxycinnamic acid, EINECS 238-801-4

Molecular Formula:	C₁₁H₁₂O₄	Molecular Weight:	208.210580 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	4

InChIKey: HJBWJAPEBGSQPR-GQCTYLIASA-N

• 3,5-DihydroxyAcetophenone

IUPAC Name: 1-(3,5-dihydroxyphenyl)ethanone | CAS Registry Number: 51863-60-6
Synonyms: 3,5-Dihydroxyacetophenone, 3',5'-Dihydroxyacetophenone, 224596_ALDRICH, ZINC02242686, EINECS 257-480-1, CID103993, 1-(3,5-Dihydroxyphenyl)ethan-1-one, TL806239, D-3420, InChI=1/C8H8O3/c1-5(9)6-2-7(10)4-8(11)3-6/h2-4,10-11H,1H

Molecular Formula:	C₈H₈O₃	Molecular Weight:	152.147320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	3

InChIKey: WQXWIKCZNIGMAP-UHFFFAOYSA-N

• 4,6-Dihydroxy-5-Nitropyrimidine

IUPAC Name: 4-hydroxy-5-nitro-1H-pyrimidin-6-one | CAS Registry Number: 2164-83-2
Synonyms: 5-Nitro-4,6-pyrimidinediol, 4,6-Dihydroxy-5-nitropyrimidine, 4,6-Pyrimidinediol, 5-nitro-, 5-Nitropyrimidine-4,6-diol, 5-Nitro-4,6-dihydroxypyrimidine, 126233_ALDRICH, STOCK4S-95649, NSC36909, EINECS 218-504-6, NSC 36909, SBB004009, ZINC01081073, ZINC05176575, Pyrimidine, 4,6-dihydroxy-5-nitro-, 4(1H)-Pyrimidinone, 6-hydroxy-5-nitro-, 4,6-DIHYDROXY-5-NITRO PYRIMIDINE, 4,6-Pyrimidinediol, 5-nitro-, (keto form), PB271082334, SR-01000639295-1, 25286-67-3

Molecular Formula:	C₄H₃N₃O₄	Molecular Weight:	157.084320 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	5

InChIKey: ABTLZAVJDRUDNG-UHFFFAOYSA-N

• 4-Chloro-3-Nitro-4'-FluoroBenzophenone

IUPAC Name: (4-chloro-3-nitrophenyl)-(4-fluorophenyl)methanone | CAS Registry Number: 31431-16-0
Synonyms: Ambap4206, EINECS 250-629-1, CID3015564, 4-Chloro-4'-fluoro-3-nitrobenzophenone

Molecular Formula:	C₁₃H₇ClFNO₃	Molecular Weight:	279.650983 [g/mol]
H-Bond Donor:	0	H-Bond Acceptor:	4

InChIKey: ZUMMQWOIAMKUOT-UHFFFAOYSA-N

• 4-Hydroxyindole

IUPAC Name: 1H-indol-4-ol | CAS Registry Number: 2380-94-1
Synonyms: Hydroxyindole, 4-Indolol, 1H-Indol-4-ol, 4-hydroxyindole, 18, 219878_ALDRICH, EINECS 219-177-2, ZINC00153008, F2313G1, SDCCGMLS-0065859.P001, ST5330636, TL8001968, C02040, H-6000, H-6010

Molecular Formula:	C₈H₇NO	Molecular Weight:	133.147280 [g/mol]
H-Bond Donor:	2	H-Bond Acceptor:	2

InChIKey: NLMQHXUGJIAKTH-UHFFFAOYSA-N

• 6-Hydroxy 2,4,5-Triaminopyrimidine Sulfate

IUPAC Name: sulfuric acid; 2,5,6-triamino-1H-pyrimidin-4-one | CAS Registry Number: 1603-02-7
Synonyms: 17376_FLUKA, NSC167378, CID296856, 2,5,6-Triamino-4-pyrimidol sulfate, 2,5,6-Triamino-4-pyrimidol sulfate salt, ST5411704, 4-Hydroxy-2,5,6-triaminopyrimidine sulfate salt, 2-HYDROXY-4,5,6-TRIAMINOPYRIMIDINE SULFATE, 4(1H)-Pyrimidinone, 2,5,6-triamino-, sulfate (1:1), 35011-47-3

Molecular Formula:	C₄H₉N₅O₅S	Molecular Weight:	239.209760 [g/mol]
H-Bond Donor:	6	H-Bond Acceptor:	9

InChIKey: RSKNEEODWFLVFF-UHFFFAOYSA-N

• 5-Cyanoindole

IUPAC Name: 1H-indole-5-carbonitrile | CAS Registry Number: 15861-24-2
Synonyms: 1H-Indole-5-carbonitrile, INDOLE-5-CARBONITRILE, C92006_ALDRICH, EINECS 239-986-4, SBB004148, ZINC00157017, LS-82429, TL8001198, C-8840, InChI=1/C9H6N2/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5,11

Molecular Formula:	C₉H₆N₂	Molecular Weight:	142.157340 [g/mol]
H-Bond Donor:	1	H-Bond Acceptor:	2

InChIKey: YHYLDEVWYOFIJK-UHFFFAOYSA-N