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• 2-Chlorothioxanthone
IUPAC Name: 2-chlorothioxanthen-9-one | CAS Registry Number: 86-39-5
Synonyms: 2-Chlorothioxanthene, 2-Chlorothioxanthen-9-one, 2-Chloro-9H-thioxanthen-9-one, C72404_ALDRICH, MLS000584923, Thioxanthen-9-one, 2-chloro-, 9H-Thioxanthen-9-one, 2-chloro-, ZINC05019985, CID618848, SMR000207308, TL8005611, EU-0066618, InChI=1/C13H7ClOS/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h1-7

Molecular Formula: C13H7ClOSMolecular Weight: 246.712080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZCDADJXRUCOCJE-UHFFFAOYSA-N

• (S)-3-Hydroxy-1-benzylpyrrolidine
IUPAC Name: (3S)-1-benzylpyrrolidin-3-ol | CAS Registry Number: 101385-90-4
Synonyms: (S)-1-Benzyl-3-pyrrolidinol, (S)-1-Benzylpyrrolidin-3-ol, (S)-1-Benzyl-3-hydroxypyrrolidine, (3S)-1-benzylpyrrolidin-3-ol, s-bhp, (S)-(-)-1-Benzyl-3-pyrrolidinol, (s)-1-benzyl-pyrrolidin-3-ol, (S)-N-Benzyl-3-hydroxypyrrolidine, (s)-1-n-benzyl-3-hydroxypyrrolidine, (s)-n-benzyl-3-pyrrolidinol, (s)-1-benzyl-pyrrolidine-3-ol, (s)-3-hydroxy-1-benzylpyrrolidine, (3s)-(-)-n-benzyl-3-pyrrolidinol, (S)-3-Hydroxy-1-benzyl-pyrrolidine, (s)-1-n-benzyl-3-hydroxypyrrolidinol, (s)-(-)-1-benzyl-3-hydroxypyrrolidine, (s)-(-)-n-benzyl 3-hydroxypyrrolidine, ST50408489, (S)-( pound inverted question mark)-1-Benzyl-3-pyrrolidinol, PubChem13097

Molecular Formula: C11H15NOMolecular Weight: 177.242900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YQMXOIAIYXXXEE-NSHDSACASA-N

• 1-Acetoxy-4-diethylamino-2-butyne
IUPAC Name: 4-(diethylamino)but-2-ynyl acetate | CAS Registry Number: 22396-77-6
Synonyms: 543160_ALDRICH, SBB008873, 4-Diethylamino-but-2-yn-1-yl acetate, FS001805

Molecular Formula: C10H17NO2Molecular Weight: 183.247480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AQEDWWHCJSXKHP-UHFFFAOYSA-N

• (1S,2R)-2-Amino-1,2-diphenylethanol
IUPAC Name: [(1R,2S)-2-hydroxy-1,2-di(phenyl)ethyl]azanium | CAS Registry Number: 23364-44-5
Synonyms: ZINC00120672

Molecular Formula: C14H16NO+Molecular Weight: 214.282940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: GEJJWYZZKKKSEV-KGLIPLIRSA-O

• 4-Chloro-Meta-Cresol
IUPAC Name: 4-chloro-3-methylphenol | CAS Registry Number: 59-50-7
Synonyms: Chlorocresol, 4-Chloro-m-cresol, Candaseptic, Peritonan, Baktolan, Ottafact, Parmetol, Raschit, Baktol, Aptal, Parol, p-Chloro-m-cresol, p-Chlorocresol, Rasen-Anicon, Chlorcresolum, Chlorkresolum, Chlorocresolo, Chlorokresolum, 4-Chloro-3-methylphenol, Preventol CMK

Molecular Formula: C7H7ClOMolecular Weight: 142.582880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: CFKMVGJGLGKFKI-UHFFFAOYSA-N

• 2-Chloro-1-(4-fluorobenzyl)benzimidazole
IUPAC Name: 2-chloro-1-[(4-fluorophenyl)methyl]benzimidazole | CAS Registry Number: 84946-20-3
Synonyms: 568694_ALDRICH, EINECS 284-624-0, CID3020241, 1-(4-Fluorobenzyl)-2-chlorobenzimidazole, 2-Chloro-1-(4-Fluorobenzyl)benzimidazole, 2-Chloro-1-(4-fluorobenzyl)-1H-benzimidazole, 2-Chloro-1-((4-fluorophenyl)methyl)-1H-benzimidazole

Molecular Formula: C14H10ClFN2Molecular Weight: 260.694003 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PGXALMVNIRPELS-UHFFFAOYSA-N

• 2-Methyl-3-Aminobenzoic Acid
IUPAC Name: 3-amino-2-methylbenzoate | CAS Registry Number: 52130-17-3
Synonyms: 2-methyl-3-aminobenzoic acid, TPC-I004, ZINC00389566, CID6950343

Molecular Formula: C8H8NO2-Molecular Weight: 150.154620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BYHMLZGICSEKIY-UHFFFAOYSA-M

• 3-Trifluoromethyl Aniline
IUPAC Name: 3-(trifluoromethyl)aniline | CAS Registry Number: 98-16-8
Synonyms: 3-Aminobenzotrifluoride, m-Abtf, m-Aminobenzotrifluoride, 3-(Trifluoromethyl)aniline, m-Aminobenzal fluoride, Benzenamine, 3-(trifluoromethyl)-, USAF MA-4, 3-Trifluoromethyl aniline, m-Trifluoromethylaniline, WLN: ZR CXFFF, 3-(Trifluoromethyl)benzenamine, 3-Amino-a,a,a-trifluorotoluene, M-(TRIFLUOROMETHYL)ANILINE, CCRIS 2812, A41801_ALDRICH, 1-Amino-3-(trifluoromethyl)benzene, HSDB 4249, NSC 4540, 07060_FLUKA, alpha,alpha,alpha-Trifluoro-m-toluidine

Molecular Formula: C7H6F3NMolecular Weight: 161.124450 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VIUDTWATMPPKEL-UHFFFAOYSA-N

• 2,4-Dichlorobenzoyl Chloride
IUPAC Name: 2,4-dichlorobenzoyl chloride | CAS Registry Number: 89-75-8
Synonyms: 2,4-Dichlorobenzoyl chloride, Benzoyl chloride, 2,4-dichloro-, 111937_ALDRICH, 35415_FLUKA, EINECS 201-936-4, ZINC01848570, CID66645, AI3-14890, LS-42601, SB 01809

Molecular Formula: C7H3Cl3OMolecular Weight: 209.457120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CEOCVKWBUWKBKA-UHFFFAOYSA-N

• (R)-1-Aminoindane
IUPAC Name: (1R)-2,3-dihydro-1H-inden-1-amine | CAS Registry Number: 10277-74-4
Synonyms: (R)-(-)-1-Aminoindan, (R)-(-)-1-Aminoindane, (1R)-2,3-dihydro-1H-inden-1-amine, (R)-(-)-1-Indanamine, (R)-2,3-dihydro-1H-inden-1-amine, (R)-1-Aminoindan, AC1MBZZT, PubChem21741, (1R)INDANYLAMINE, R-AI, SureCN42279, AC1Q4U9Q, RASAGILINE INTERMEDIATE, (R)-INDAN-1-YLAMINE, (1R)-INDAN-1-AMINE, (R)-(-)-INDANAMINE, 445347_ALDRICH, CTK0H4282, MolPort-001-767-521, ALPHACHIRON 19165A832

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

InChIKey: XJEVHMGJSYVQBQ-SECBINFHSA-N

• 1-(3-Trifluoromethylphenyl) Piperazine
IUPAC Name: 1-[3-(trifluoromethyl)phenyl]piperazine | CAS Registry Number: 15532-75-9
Synonyms: Spectrum_000227, Spectrum2_001573, Spectrum3_000970, Spectrum4_001090, Spectrum5_001131, Biomol-NT_000117, BSPBio_002579, KBioGR_001480, KBioSS_000707, DivK1c_000823, T9073_SIGMA, SPBio_001506, 1-[3-(Trifluoromethyl)phenyl]piperazine, BPBio1_000221, EINECS 239-574-4, KBio1_000823, KBio2_000707, KBio2_003275, KBio2_005843, KBio3_001799

Molecular Formula: C11H13F3N2Molecular Weight: 230.229530 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: KKIMDKMETPPURN-UHFFFAOYSA-N

• (R)-3-Hydroxypyrrolidine
IUPAC Name: (3R)-pyrrolidin-1-ium-3-ol | CAS Registry Number: 2799-21-5
Synonyms: ZINC02140994, CID6992365

Molecular Formula: C4H10NO+Molecular Weight: 88.128300 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: JHHZLHWJQPUNKB-SCSAIBSYSA-O

• 2-Amino Diphenyl Ether
IUPAC Name: 2-(phenoxy)aniline | CAS Registry Number: 2688-84-8
Synonyms: 2-Phenoxyaniline, o-Phenoxyaniline, 2-Aminodiphenyl ether, Aniline, 2-phenoxy-, 2-Phenoxybenzenamine, 2-Ade, Aniline, o-phenoxy-, o-Aminophenyl phenyl ether, 2-Aminophenyl phenyl ether, Benzenamine, 2-phenoxy-, Enamine_002073, Oprea1_152575, Aniline, o-phenoxy- (8CI), 346683_ALDRICH, EINECS 220-254-8, NSC 39655, CID75899, NSC39655, BRN 0777766, ZINC00389666

Molecular Formula: C12H11NOMolecular Weight: 185.221840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NMFFUUFPJJOWHK-UHFFFAOYSA-N

• 4-Chloro-2-nitroanisole
IUPAC Name: 4-chloro-1-methoxy-2-nitrobenzene | CAS Registry Number: 89-21-4
Synonyms: p-Chloro-o-nitroanisole, Anisole, 4-chloro-2-nitro-, NSC8445, 4-CHLORO-2-NITRO ANISOLE, Benzene, 4-chloro-1-methoxy-2-nitro-, EINECS 201-887-9, ZINC01586743, AI3-01524, ST5405431, InChI=1/C7H6ClNO3/c1-12-7-3-2-5(8)4-6(7)9(10)11/h2-4H,1H

Molecular Formula: C7H6ClNO3Molecular Weight: 187.580440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OSAYFGJUEOYRHY-UHFFFAOYSA-N

• 2-Azaspiro-[4,5]-decan-3-one
IUPAC Name: 2-azaspiro[4.5]decan-3-one | CAS Registry Number: 64744-50-9
Synonyms: 2-azaspiro[4.5]decan-3-one, 553743_ALDRICH, 3-Azaspiro[4.5]decan-2-one, 2-AZASPIRO(4,5)DECAN-3-ONE, 4,4-Pentamethylene-2-pyrrolidinone, CID47457, BRN 0119500, 2-PYRROLIDONE,4,4-PENTAMETHYLENE, LS-22729, beta,beta-Pentamethylen-gamma-butyrolactam [German], 5-21-07-00071 (Beilstein Handbook Reference), InChI=1/C9H15NO/c11-8-6-9(7-10-8)4-2-1-3-5-9/h1-7H2,(H,10,11

Molecular Formula: C9H15NOMolecular Weight: 153.221500 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: JAWPQJDOQPSNIQ-UHFFFAOYSA-N

• 3,4-Dichloro Methyl Benzene
IUPAC Name: 1,2-dichloro-4-methylbenzene | CAS Registry Number: 95-75-0
Synonyms: 3,4-DICHLOROTOLUENE, Toluene, 3,4-dichloro-, Benzene, 1,2-dichloro-4-methyl-, 1,2-Dichloro-4-methylbenzene, NSC8765, 161365_ALDRICH, 45975_RIEDEL, NSC 8765, 36560_FLUKA, EINECS 202-447-9, CID7256, Toluene, 3,4-dichloro- (8CI), AI3-02581, LS-184862, ST5406749, InChI=1/C7H6Cl2/c1-5-2-3-6(8)7(9)4-5/h2-4H,1H

Molecular Formula: C7H6Cl2Molecular Weight: 161.028540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WYUIWKFIFOJVKW-UHFFFAOYSA-N

• 2'-Deoxyuridine
IUPAC Name: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]pyrimidine-2,4-dione | CAS Registry Number: 951-78-0
Synonyms: deoxyuridine, 2'-DEOXYURIDINE, 2-Deoxyuridine, Uracil deoxyriboside, Deoxyribose uracil, 2'-Desoxyuridine, dURD, Uridine, 2'-deoxy-, CCRIS 2832, MLS001066344, D5412_SIGMA, C9H12N2O5, EINECS 213-455-7, NSC 23615, AIDS113822, AIDS-113822, NSC23615, BRN 0024433, ZINC00155696, 1-(2-Deoxy-beta-D-ribofuranosyl)uracil

Molecular Formula: C9H12N2O5Molecular Weight: 228.201980 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: MXHRCPNRJAMMIM-SHYZEUOFSA-N

• 2-Chloroethylamine Hydrochloride
IUPAC Name: 2-chloroethanamine hydrochloride | CAS Registry Number: 870-24-6
Synonyms: 2-Chloroethylamine hydrochloride, C40200_ALDRICH, 23035_FLUKA, 2-Aminoethyl chloride hydrochloride, NSC10871, .beta.-Chloroethylamine hydrochloride, 1-Amino-2-chloroethane hydrochloride, Ethanamine, 2-chloro-, hydrochloride, TL8005648, ETHYLAMINE, 2-CHLORO-, HYDROCHLORIDE

Molecular Formula: C2H7Cl2NMolecular Weight: 115.989680 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: ONRREFWJTRBDRA-UHFFFAOYSA-N

• 4-Chlorobenzhydrylamine hydrochloride
IUPAC Name: (4-chlorophenyl)-phenylmethanamine | CAS Registry Number: 5267-39-0
Synonyms: (4-Chlorophenyl)(phenyl)methanamine, EINECS 226-085-6, Benzenemethanamine, 4-chloro-.alpha.-phenyl-, T5323835

Molecular Formula: C13H12ClNMolecular Weight: 217.694080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XAFODXGEQUOEKN-UHFFFAOYSA-N

• 5-Chloro-1-indanone
IUPAC Name: 5-chloro-2,3-dihydroinden-1-one | CAS Registry Number: 42348-86-7
Synonyms: 433071_ALDRICH, ZINC00085658, 1H-Inden-1-one, 5-chloro-2,3-dihydro-, ST5405394, TL8003019

Molecular Formula: C9H7ClOMolecular Weight: 166.604280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MEDSHTHCZIOVPU-UHFFFAOYSA-N

• 4-Chloro-4'-hydroxybenzophenone
IUPAC Name: (4-chlorophenyl)-(4-hydroxyphenyl)methanone | CAS Registry Number: 42019-78-3
Synonyms: 4-p-Chlorobenzoylphenol, CBMicro_020566, Oprea1_602385, 4-Hydroxy-4'-chlorobenzophenone, MLS000104608, EINECS 255-627-4, ZINC00155545, Methanone, (4-chlorophenyl)(4-hydroxyphenyl)-, SMR000054541, BIM-0020576.P001, ST5308379, InChI=1/C13H9ClO2/c14-11-5-1-9(2-6-11)13(16)10-3-7-12(15)8-4-10/h1-8,15

Molecular Formula: C13H9ClO2Molecular Weight: 232.662360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RUETVLNXAGWCDS-UHFFFAOYSA-N

• 2-Methoxyphenyl acetic acid
IUPAC Name: 2-(2-methoxyphenyl)acetic acid | CAS Registry Number: 93-25-4
Synonyms: Benzeneacetic acid, 2-methoxy-, 2-Methoxyphenylacetic acid, (o-Methoxyphenyl)acetic acid, (2-Methoxyphenyl)acetic acid, Acetic acid, (o-methoxyphenyl)-, ANISOLE-2-ACETIC ACID, 180653_ALDRICH, o-METHOXYPHENYLACETIC ACID, 65180_FLUKA, NSC16257, EINECS 202-231-4, NSC110708, NSC 110708, Acetic acid, (o-methoxyphenyl)- (8CI), ST5406642, InChI=1/C9H10O3/c1-12-8-5-3-2-4-7(8)6-9(10)11/h2-5H,6H2,1H3,(H,10,11

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: IVEWTCACRDEAOB-UHFFFAOYSA-N

• 3-Amino-1,2,4-Triazole
IUPAC Name: 1H-1,2,4-triazol-5-amine | CAS Registry Number: 61-82-5
Synonyms: Amitrole, Aminotriazole, Amitrol, Amitolamitril, Triazolamine, Herbizole, Weedoclor, Azaplant, Weedazin, Weedazol, Cytrole, Elmasil, Fenavar, Ramizol, Amerol, Amizol, Azolan, Cytrol, Emisol, Azole

Molecular Formula: C2H4N4Molecular Weight: 84.079960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KLSJWNVTNUYHDU-UHFFFAOYSA-N

• 3-Aminopyridine
IUPAC Name: pyridin-3-amine | CAS Registry Number: 462-08-8
Synonyms: 3-Pyridinamine, 3-AMINOPYRIDINE, 3-Pyridylamine, Amino-3 pyridine, beta-Aminopyridine, Pyridine, 3-amino-, pyridin-3-amine, pyridin-3-ylamine, .beta.-Aminopyridine, WLN: T6NJ CZ, A78209_ALDRICH, 09360_FLUKA, EINECS 207-322-2, NSC 15040, UN2671, AIDS021196, AIDS-021196, NSC15040, BRN 0105692, SBB004395

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

InChIKey: CUYKNJBYIJFRCU-UHFFFAOYSA-N

• 4-Methoxybenzyl Chloride
IUPAC Name: 1-(chloromethyl)-4-methoxybenzene | CAS Registry Number: 824-94-2
Synonyms: p-Anisyl chloride, 4-Methoxybenzyl chloride, p-(Chloromethyl)anisole, p-Methoxybenzyl chloride, Anisole, p-(chloromethyl)-, 4-(Chloromethyl)anisole, 1-(Chloromethyl)-4-methoxybenzene, alpha-Chloro-4-methoxytoluene, Benzene, 1-(chloromethyl)-4-methoxy-, CCRIS 5108, 270245_ALDRICH, .alpha.-Chloro-4-methoxytoluene, 64870_FLUKA, EINECS 212-540-6, NSC 172955, Anisole, p-(chloromethyl)- (8CI), NSC172955, ZINC00161699, LS-188201, ST5214006

Molecular Formula: C8H9ClOMolecular Weight: 156.609460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MOHYOXXOKFQHDC-UHFFFAOYSA-N

• 3,4-Dichlorobenzaldehyde
IUPAC Name: 3,4-dichlorobenzaldehyde | CAS Registry Number: 6287-38-3
Synonyms: 3,4-DICHLOROBENZALDEHYDE, Benzaldehyde, 3,4-dichloro-, CCRIS 6015, D56608_ALDRICH, NSC8763, NSC 8763, 35270_FLUKA, EINECS 228-520-5, CID22710, SBB016342, ZINC00151791, LS-1513, NCGC00091729-01, InChI=1/C7H4Cl2O/c8-6-2-1-5(4-10)3-7(6)9/h1-4

Molecular Formula: C7H4Cl2OMolecular Weight: 175.012060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZWUSBSHBFFPRNE-UHFFFAOYSA-N

• 1-(4-Pyridyl)-piperazine
IUPAC Name: 1-pyridin-4-ylpiperazine | CAS Registry Number: 1008-91-9
Synonyms: 4-Piperazinopyridine, 1-(4-Pyridyl)piperazine, 1-Pyridin-4-yl-piperazine, 76763_FLUKA, EINECS 213-764-7, CID70517, ST5408444

Molecular Formula: C9H13N3Molecular Weight: 163.219620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OQZBAQXTXNIPRA-UHFFFAOYSA-N

• 1-Acetyl-4-(4-Hydroxyphenyl)-Piperazine
IUPAC Name: 1-[4-(4-hydroxyphenyl)piperazin-1-yl]ethanone | CAS Registry Number: 67914-60-7
Synonyms: Oprea1_786576, 511943_ALDRICH, 1-Acetyl-4-(4-hydroxyphenyl)piperazine, ZINC00105363, EINECS 267-744-8, CID712441, SBB003353, SDCCGMLS-0066236.P001, TL8004782

Molecular Formula: C12H16N2O2Molecular Weight: 220.267640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AGVNLFCRZULMKK-UHFFFAOYSA-N

• 4-Chlorobenzhydrol
IUPAC Name: (4-chlorophenyl)-phenylmethanol | CAS Registry Number: 119-56-2
Synonyms: Chlorobenzhydrol, Chlorbenzhydrol, Benzhydrol, 4-chloro-, P-CHLOROBENZHYDROL, Benzhydrol, p-chloro-, (4-Chlorophenyl)phenylmethanol, 4-Chlorobenzhydryl alcohol, 124982_ALDRICH, Benzhydrol, 4-chloro- (8CI), Benzenemethanol, 4-chloro-.alpha.-phenyl-, NSC59990, EINECS 204-333-4, NSC 59990, Benzenemethanol, 4-chloro-alpha-phenyl-, TL806429, AI3-20881, ST5308048, C14672, 118014-08-7

Molecular Formula: C13H11ClOMolecular Weight: 218.678840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: AJYOOHCNOXWTKJ-UHFFFAOYSA-N

• 1-Chloroadamantane
IUPAC Name: 1-chloroadamantane | CAS Registry Number: 935-56-8
Synonyms: Adamantyl chloride, 3-Chloroadamantane, 1-Adamantyl chloride, Adamantane, 1-chloro-, Ambap735, ADAMANTANE,1-CHLORO, 294861_ALDRICH, Adamantane, 1-chloro- (8CI), CID64154, EINECS 213-305-0, NSC143629, NSC 143629, 1-Chlorotricyclo(3.3.1.13,7)decane, Tricyclo[3.3.1.13,7]decane, 1-chloro-, Tricyclo(3.3.1.13,7)decane, 1-chloro-, Tricyclo(3.3.1.1(3,7))decane, 1-chloro-, Tricyclo[3.3.1.1(3,7)]decane, 1-chloro-, Tricyclo[3.3.1.1<3,7>]decane, 1-chloro-, tricyclo[3.3.1.1~3,7~]decane, 1-chloro-, T0501-8649

Molecular Formula: C10H15ClMolecular Weight: 170.679100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OZNXTQSXSHODFR-UHFFFAOYSA-N

• 1,2,4-Triazolo[4,3-a]pyridin-3(2H)-one
IUPAC Name: 2H-[1,2,4]triazolo[4,3-a]pyridin-3-one | CAS Registry Number: 6969-71-7
Synonyms: s-Triazolo[4,3-a]pyridin-3-ol, 3-Hydroxytriazolo[4,3-a]pyridine, NSC68462, EINECS 230-191-8, ZINC00063776, ZINC02654018, [1,2,4]Triazolo[4,3-a]pyridin-3(2H)-one, TL8004899, 1,2,4-Triazolo(4,3-a)pyridin-3(2H)-one, T5245627

Molecular Formula: C6H5N3OMolecular Weight: 135.123400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: LJRXNXBFJXXRNQ-UHFFFAOYSA-N

• 3-Chloro-Methyl Toluidine
IUPAC Name: 1-(chloromethyl)-3-methylbenzene | CAS Registry Number: 620-19-9
Synonyms: m-Xylyl chloride, 3-Methylbenzyl chloride, m-Methylbenzyl chloride, m-(Chloromethyl)toluene, 3-(Chloromethyl)toluene, m-Xylyl-alpha-chloride, m-Xylene, .alpha.-chloro-, .alpha.-Chloro-m-xylene, m-Xylyl-.alpha.-chloride, ALPHA-CHLORO-M-XYLENE, C73354_ALDRICH, ghl.PD_Mitscher_leg0.1073, Benzene, 1-(chloromethyl)-3-methyl-, m-Xylene, alpha-chloro- (8CI), NSC76592, EINECS 210-628-9, NSC 76592, ST5214157, TL8004016, Benzene, 1-(chloromethyl)-3-methyl- (9CI)

Molecular Formula: C8H9ClMolecular Weight: 140.610060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LZBOHNCMCCSTJX-UHFFFAOYSA-N

• 2-Hydroxyphenylacetic acid
IUPAC Name: 2-(2-hydroxyphenyl)acetic acid | CAS Registry Number: 614-75-5
Synonyms: 2-Hydroxyphenylacetate, Benzeneacetic acid, 2-hydroxy-, Hydroxyphenylacetic acid, (2-Hydroxyphenyl)acetic acid, 2-Hydroxybenzeneacetic acid, Acetic acid, (o-hydroxyphenyl)-, o-Hydroxy phenylacetic acid, 2-Hydroxyphenyl acetic acid, (o-Hydroxyphenyl)acetic acid, H49804_ALDRICH, O-HYDROXYPHENYLACETIC ACID, NSC62000, EINECS 210-393-2, NSC 62000, (2-HYDROXYPHENYL)-ACETIC ACID, Acetic acid, (o-hydroxyphenyl)- (8CI), SB 01717, C05852, H-7080, InChI=1/C8H8O3/c9-7-4-2-1-3-6(7)5-8(10)11/h1-4,9H,5H2,(H,10,11

Molecular Formula: C8H8O3Molecular Weight: 152.147320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CCVYRRGZDBSHFU-UHFFFAOYSA-N

• 3-Hydroxy Thiophenol
IUPAC Name: 3-sulfanylphenol | CAS Registry Number: 40248-84-8
Synonyms: 3-Hydroxythiophenol, 3-sulfanylphenol, 3-Mercaptophenol, 3-Hydroxybenzenethiol, 3-Hydroxy thiophenol, 3-Sulphanylphenol, PubChem6829, Phenol, 3-mercapto-, ACMC-209jca, AC1MC5YX, SureCN21502, KSC235M9N, 568899_ALDRICH, Jsp006961, CTK1D5696, DOFIAZGYBIBEGI-UHFFFAOYSA-, MolPort-001-757-023, ANW-29336, OR0777, AKOS007930181

Molecular Formula: C6H6OSMolecular Weight: 126.176240 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DOFIAZGYBIBEGI-UHFFFAOYSA-N

• (S)-1-(Tert-Butoxycarbonyl)-2-Azetidinemethanol
IUPAC Name: tert-butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate | CAS Registry Number: 161511-85-9
Synonyms: (S)-1-Boc-2-azetidinemethanol, (S)-1-(tert-Butoxycarbonyl)-2-azetidinemethanol, (S)-1-BOC-2-HYDROXYMETHYLAZETIDINE, AG-E-11216, (S)-tert-butyl 2-(hydroxymethyl)azetidine-1-carboxylate, (S)-N-T-BUTOXYCARBONYL-2-AZETIDINYLMETHANOL, tert-butyl (2S)-2-(hydroxymethyl)azetidine-1-carboxylate, (S)-N-tert-Butyloxycarbonyl-2-azetidinylmethanol, SureCN71903, CTK4D0864, BH273, HT143, ANW-21937, FC0246, ZINC02511728, AKOS015838371, (S)-N-BOC-2-AZETIDINEMETHANOL, PB20800, RP09463, AK-33535

Molecular Formula: C9H17NO3Molecular Weight: 187.236180 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XIRUXUKRGUFEKC-ZETCQYMHSA-N

• 2-Chloro-6-Fluorobenzyl Chloride
IUPAC Name: 1-chloro-2-(chloromethyl)-3-fluorobenzene | CAS Registry Number: 55117-15-2
Synonyms: 2-Chloro-6-fluorobenzyl chloride, 218111_ALDRICH, 2,alpha-Dichloro-6-fluorotoluene, alpha,2-Dichloro-6-fluorotoluene, EINECS 259-487-5, Benzene, 1-chloro-2-(chloromethyl)-3-fluoro-, 1-Chloro-2-(chloromethyl)-3-fluorobenzene, ST5214141, 3S210934

Molecular Formula: C7H5Cl2FMolecular Weight: 179.019003 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MJGOLNNLNQQIHR-UHFFFAOYSA-N

• 5-Nitrofurfural Diacetate
IUPAC Name: [acetyloxy-(5-nitrofuran-2-yl)methyl] acetate | CAS Registry Number: 92-55-7
Synonyms: Nitrofuraldehyde diacetate, 5-Nitrofurfural diacetate, 5-Nitro-2-furaldehyde diacetate, 2-(Diacetoxymethyl)-5-nitrofuran, 5-Nitro-2-furfural diacetate, 5-Nitrofurfurylidene diacetate, 5-Nitrofuraldehyde diacetate, Maybridge1_006444, CCRIS 1191, 5-Nitro-2-furanmethanediol diacetate, 5-Nitro-2-furfuraldehyde diacetate, 5-Nitrofurfurylidene di(acetate), 5-Nitro-2-furanmethandiol diacetate, NSC 5411, EINECS 202-166-1, 5-Nitro-2-furancarboxaldehyde diacetate, NSC5411, 5-Nitro-2-furan methandiol diacetate, BRN 0255089, ZINC00056461

Molecular Formula: C9H9NO7Molecular Weight: 243.170260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: HSXKWKJCZNRMJO-UHFFFAOYSA-N

• 1,2-Chloroethyl Piperidine HCl
IUPAC Name: 1-(2-chloroethyl)piperidine hydrochloride | CAS Registry Number: 2008-75-5
Synonyms: Ambap7519, C42602_ALDRICH, Piperidinoethyl chloride, hydrochloride, NSC 9995, EINECS 217-920-5, NSC9995, NSC 30790, 1-(2-Chloroethyl)piperidine hydrochloride, 1-(2-Chloroethyl)piperidinium chloride, beta-Chloroethylpiperidine hydrochloride, CID74826, NSC30790, 2-Piperidinoethylchloride hydrochloride, Piperidine, 1-(2-chloroethyl)-, hydrochloride, 2-Piperidinoethyl chloride hydrochloride, N-(beta-CHLOROETHYL)PIPERIDINE HCI, LS-114795, TL8001656

Molecular Formula: C7H15Cl2NMolecular Weight: 184.106700 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VFLQQZCRHPIGJU-UHFFFAOYSA-N

• 3-Nitrophthalic Acid
IUPAC Name: 3-nitrophthalic acid | CAS Registry Number: 603-11-2
Synonyms: 3-Nitrophthalic acid, Phthalic acid, 3-nitro-, 137820_ALDRICH, 369306_ALDRICH, 1,2-Benzenedicarboxylic acid, 3-nitro-, 73760_FLUKA, NSC3120, AIDS019415, Phthalic acid, 3-nitro- (8CI), AIDS-019415, NSC 3120, EINECS 210-030-8, AI3-02074, ST5202791, TL8006095, 46381-03-7, InChI=1/C8H5NO6/c10-7(11)4-2-1-3-5(9(14)15)6(4)8(12)13/h1-3H,(H,10,11)(H,12,13

Molecular Formula: C8H5NO6Molecular Weight: 211.128400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: KFIRODWJCYBBHY-UHFFFAOYSA-N

• 3' Acetamidoacetophenone
IUPAC Name: N-(3-acetylphenyl)acetamide | CAS Registry Number: 7463-31-2
Synonyms: 3-Acetylacetanilide, 3'-Acetamidoacetophenone, 3-Acetamidoacetophenone, N-(3-acetylphenyl)acetamide, 00188_FLUKA, NSC404340, CID346202, SBB005777, ZINC00363261, TL806426, AN-652/41025152

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

InChIKey: AFZTYHRVDOKRKV-UHFFFAOYSA-N

• 2,6-Lutidine
IUPAC Name: 2,6-dimethylpyridine | CAS Registry Number: 108-48-5
Synonyms: 2,6-Dimethylpyridine, Lutidine, Pyridine, 2,6-dimethyl-, alpha,alpha'-Lutidine, 2,6-LUTIDINE, 2,6-Dimethypyridine, alpha,alpha'-Dimethylpyridine, HSDB 79, FEMA No. 3540, .alpha.,.alpha.'-Lutidine, .alpha.,.alpha.'-Dimethylpyridine, W354007_ALDRICH, 336106_ALDRICH, L3900_SIAL, NSC 2155, 04991_FLUKA, CHEBI:32548, EINECS 203-587-3, NSC2155, ZINC00967330

Molecular Formula: C7H9NMolecular Weight: 107.153060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OISVCGZHLKNMSJ-UHFFFAOYSA-N

• 4,4'-Dichloro Benzophenone
IUPAC Name: bis(4-chlorophenyl)methanone | CAS Registry Number: 90-98-2
Synonyms: 4,4'-Dichlorobenzophenone, DCBP, Di(p-chlorophenyl)ketone, p-Dichlorobenzophenone, USAF DO-4, Bis(4-chlorophenyl) ketone, Bis(p-chlorophenyl)ketone, Di(4-chlorophenyl)ketone, Bis(4-chlorophenyl)ketone, Methanone, bis(4-chlorophenyl)-, DBP (degradation product), DBP (VAN), MET854B_SUPELCO, Bis(4-chlorophenyl)methanone, Benzophenone, 4,4'-dichloro-, WLN: GR DVR DG, P,P'-DICHLOROBENZOPHENONE, 113700_ALDRICH, 45421_RIEDEL, NSC 8787

Molecular Formula: C13H8Cl2OMolecular Weight: 251.108020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: OKISUZLXOYGIFP-UHFFFAOYSA-N

• (S)-1,4-Dibromo-2-Butanol
IUPAC Name: (2S)-1,4-dibromobutan-2-ol | CAS Registry Number: 64028-90-6
Synonyms: (S)-1,4-Dibromo-2-butanol, (S)-1,4-Dibromobutan-2-ol, sNqDLLQxbRvuUQX@, AC1LD2FD, 77082_ALDRICH, (2S)-1,4-dibromobutan-2-ol, 77082_FLUKA, CTK5C0495, MolPort-003-939-006, ZINC02016741, 2-Butanol,1,4-dibromo-, (2S)-, AKOS016010800, AK115840, KB-210758, InChI=1/C4H8Br2O/c5-2-1-4(7)3-6/h4,7H,1-3H

Molecular Formula: C4H8Br2OMolecular Weight: 231.913720 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PSSRAPMBSMSACN-BYPYZUCNSA-N

• 2-Thiophene Carboxaldehyde
IUPAC Name: thiophene-2-carbaldehyde | CAS Registry Number: 98-03-3
Synonyms: 2-Thienylaldehyde, 2-Thiophenecarboxaldehyde, 2-Thienaldehyde, Thenaldehyde, 2-Thiophenealdehyde, alpha-Formylthiophene, 2-Thienylcarboxaldehyde, .alpha.-Formylthiophene, Thiophene-2-carbaldehyde, 2-FORMYLTHIOPHENE, 2-Thiophenecarbaldehyde, alpha-Thiophenecarboxaldehyde, WLN: T5SJ BVH, T32409_ALDRICH, .alpha.-Thiophenecarboxaldehyde, NSC 2162, EINECS 202-629-8, NSC2162, SBB004321, ZINC00158751

Molecular Formula: C5H4OSMolecular Weight: 112.149660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CNUDBTRUORMMPA-UHFFFAOYSA-N

• 4-Chlorobenzoyl Chloride
IUPAC Name: 4-chlorobenzoyl chloride | CAS Registry Number: 122-01-0
Synonyms: Benzoyl chloride, 4-chloro-, Benzoyl chloride, p-chloro-, 4-CHLOROBENZOYL CHLORIDE, 111902_ALDRICH, 374288_ALDRICH, EINECS 204-515-3, ZINC02041018, AI3-14889, LS-42595, InChI=1/C7H4Cl2O/c8-6-3-1-5(2-4-6)7(9)10/h1-4

Molecular Formula: C7H4Cl2OMolecular Weight: 175.012060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RKIDDEGICSMIJA-UHFFFAOYSA-N

• 1-Methoxy Methylamino-2-Nitroethylene
IUPAC Name: (Z)-1-methoxy-N-methyl-2-nitroethenamine | CAS Registry Number: 110763-36-5
Synonyms: ZINC02243795

Molecular Formula: C4H8N2O3Molecular Weight: 132.117920 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ISROKTUWQRVBQO-ARJAWSKDSA-N

• (1R,2R)-(-)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol
IUPAC Name: (1R,2R)-2-amino-1-(4-nitrophenyl)propane-1,3-diol | CAS Registry Number: 716-61-0
Synonyms: Levoamine, Chloramphenicol base, A70704_ALDRICH, EINECS 211-938-7, LS-120138, TL8005023, D-(-)Threo-2-amino-1-(p-nitrophenyl)propane-1,3-diol, D-threo-(-)-2-Amino-1-(p-nitrophenyl)-1,3-propanediol, 1,3-Propanediol, 2-amino-1-(p-nitrophenyl)-, D-threo-(-)-, (1R,2R)-(−)-2-Amino-1-(4-nitrophenyl)-1,3-propanediol, D-(−)-threo-2-Amino-1-(p-nitrophenyl)-1,3-propanediol

Molecular Formula: C9H12N2O4Molecular Weight: 212.202580 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 5

InChIKey: OCYJXSUPZMNXEN-RKDXNWHRSA-N

• 4-Bromo-3,5-dihydroxybenzoic Acid
IUPAC Name: 4-bromo-3,5-dihydroxybenzoic acid | CAS Registry Number: 16534-12-6
Synonyms: Ambap77, 4-Bromo-3,5-dihydroxybenzoic acid, 4-Bromo-3,5-resorcylic acid, 260096_ALDRICH, alpha-Resorcylic acid, 4-bromo-, Benzoic acid, 4-bromo-3,5-dihydroxy-, NSC151972, 4-Bromo-3,5-dihydroxybenzic acid, CID86023, .alpha.-Resorcylic acid, 4-bromo-, EINECS 240-606-4, NSC 151972, TL806176, InChI=1/C7H5BrO4/c8-6-4(9)1-3(7(11)12)2-5(6)10/h1-2,9-10H,(H,11,12

Molecular Formula: C7H5BrO4Molecular Weight: 233.016200 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: NUTRHYYFCDEALP-UHFFFAOYSA-N

• 2-Thiophenecarboxylic Acid
IUPAC Name: thiophene-2-carboxylic acid | CAS Registry Number: 527-72-0
Synonyms: 2-Thenoic acid, 2-Thiophenecarboxylic acid, 2-Carboxythiophene, 2-Thiophenic acid, 2hdq, Thiophene-2-carboxylate, nchembio831-compF1, 2-Thienylcarboxylic acid, 2-TCA, sodium thiophenecarboxylate, alpha-Thiophenecarboxylic acid, .alpha.-Thiophenecarboxylic acid, NCIOpen2_000991, C5H4O2S, T32603_ALDRICH, THIOPHENE-2-CARBOXYLIC ACID, THIOPHENECARBOXYLIC ACID, NSC 2188, EINECS 208-423-4, NSC2188

Molecular Formula: C5H4O2SMolecular Weight: 128.149060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QERYCTSHXKAMIS-UHFFFAOYSA-N

• 4-Chlorobenzaldehyde
IUPAC Name: 4-chlorobenzaldehyde | CAS Registry Number: 104-88-1
Synonyms: Benzaldehyde, p-chloro-, P-CHLOROBENZALDEHYDE, Benzaldehyde, 4-chloro-, 4-Chlorobenzenaldehyde, PCAD, p-Chlorobenzenecarboxaldehyde, 4-chlorobenzoic aldehyde, CCRIS 857, 112216_ALDRICH, NSC 2078, 23491_FLUKA, EINECS 203-247-4, NSC2078, c0418, LS-382, ZINC00896325, AI3-52280, NCGC00091804-01, ST5213377, C06648

Molecular Formula: C7H5ClOMolecular Weight: 140.567000 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: AVPYQKSLYISFPO-UHFFFAOYSA-N


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