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• 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

• 1 5-Pentanediol
IUPAC Name: pentane-1,5-diol | CAS Registry Number: 111-29-5
Synonyms: Pentylene glycol, 1,5-PENTANEDIOL, Pentamethylene glycol, Pentane-1,5-diol, 1,5-Dihydroxypentane, 1,5-Pentylene glycol, .omega.-Pentanediol, alpha,omega-Pentanediol, 1,5-Pentamethylene glycol, Ambap1523, .alpha.,.omega.-Pentanediol, WLN: Q5Q, P7703_SIAL, NSC 5927, 76892_FLUKA, EINECS 203-854-4, NSC5927, BRN 1560130, ZINC01687319, AI3-03318

Molecular Formula: C5H12O2Molecular Weight: 104.147580 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ALQSHHUCVQOPAS-UHFFFAOYSA-N

• 4,4'-Dimethylbenzhydrol
IUPAC Name: bis(4-methylphenyl)methanol | CAS Registry Number: 885-77-8
Synonyms: Di-p-Tolylmethanol, Benzhydrol, 4,4'-dimethyl-, NSC129834, ZINC01870684, ST5407929, Benzenemethanol, 4-methyl-.alpha.-(4-methylphenyl)-

Molecular Formula: C15H16OMolecular Weight: 212.286940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: RGYZQSCFKFDECZ-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

• (S)-(+)-1-Amino-2-propanol
IUPAC Name: 1-aminopropan-2-ol | CAS Registry Number: 2799-17-9
Synonyms: Threamine, Isopropanolamine, Mipa, Monoisopropanolamine, 1-Aminopropan-2-ol, 2-Propanol, 1-amino-, 2-Hydroxypropanamine, 2-Hydroxypropylamine, aminopropanol, Mono-iso-propanolamine, 1-AMINO-2-PROPANOL, Amino-2-propanol, 1-Methyl-2-aminoethanol, 2-Amino-1-methylethanol, 2-Hydroxy-1-propylamine, 1-Amino-2-hydroxypropane, ()-Isopropanolamine, 1-amino-propan-2-ol, beta-Aminoisopropanol, D-1-amino-2-propanol

Molecular Formula: C3H9NOMolecular Weight: 75.109660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: HXKKHQJGJAFBHI-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

• 2-Nitroaniline-4-sulfonic acid sodium salt
IUPAC Name: sodium 4-amino-3-nitrobenzenesulfonate | CAS Registry Number: 5042-33-1
Synonyms: Sodium 3-nitrosulphanilate, EINECS 225-735-6, CID165281, 2-Nitroaniline-4-sulfonic acid, sodium salt, Benzenesulfonic acid, 4-amino-3-nitro-, monosodium salt

Molecular Formula: C6H5N2NaO5SMolecular Weight: 240.169070 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 6

InChIKey: SXTOGAIYFMTUAD-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

• 5-Bromo-1-pentene
IUPAC Name: 5-bromopent-1-ene | CAS Registry Number: 1119-51-3
Synonyms: 1-Bromo-4-pentene, 1-Pentene, 5-bromo-, 5-Bromopent-1-ene, 253901_ALDRICH, EINECS 214-281-4, InChI=1/C5H9Br/c1-2-3-4-5-6/h2H,1,3-5H

Molecular Formula: C5H9BrMolecular Weight: 149.028960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LPNANKDXVBMDKE-UHFFFAOYSA-N

• 1-(2,6-Dichlorophenyl)-2-Indolinone
IUPAC Name: 1-(2,6-dichlorophenyl)-3H-indol-2-one | CAS Registry Number: 15362-40-0
Synonyms: ChemDiv3_002423, MLS000527383, EINECS 239-399-3, 1-(2,6-Dichlorophenyl)indolin-2-one, BRN 1538309, NSC621845, ZINC00170657, BAS 01026882, LS-83776, NCI60_006351, SMR000117857, 1-(2,6-Dichloro-phenyl)-1,3-dihydro-indol-2-one, 1,3-Dihydro-1-(2,6-dichlorophenyl)-2H-indol-2-one, 1-(2,6-Dichlorophenyl)-1,3-dihydro-2H-indol-2-one, 2H-INDOL-2-ONE, 1,3-DIHYDRO-1-(2,6-DICHLOROPHENYL)-, A2202/0092681, 2H-Indol-2-one, 1-(2,6-dichlorophenyl)-1,3-dihydro-

Molecular Formula: C14H9Cl2NOMolecular Weight: 278.133360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JCICIFOYVSPMHG-UHFFFAOYSA-N

• 4-Chlorobenzyl Chloride
IUPAC Name: 1-chloro-4-(chloromethyl)benzene | CAS Registry Number: 104-83-6
Synonyms: 4-Chlorobenzyl chloride, p-Chlorobenzyl chloride, alpha,4-Dichlorotoluene, alpha,p-Dichlorotoluene, Toluene, p,alpha-dichloro-, Toluene, p,.alpha.-dichloro-, .alpha.4-Dichlorotoluene, p-Chlorophenylmethyl chloride, .alpha.-p-Dichlorotoluene, p-.alpha.-Dichlorotoluene, Benzene, 1-chloro-4-(chloromethyl)-, CCRIS 5106, (4-Chlorophenyl)methyl chloride, HSDB 2731, 1-Chloro-4-(chloromethyl)benzene, 111961_ALDRICH, EINECS 203-242-7, NSC 34032, 1-CHLORO-4-CHLOROMETHYLBENZENE, NSC34032

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

InChIKey: JQZAEUFPPSRDOP-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

• (R)-(+)-alpha, alpha-Diphenyl-2-pyrrolidinemethanol
IUPAC Name: di(phenyl)-[(2R)-pyrrolidin-1-ium-2-yl]methanol | CAS Registry Number: 22348-32-9
Synonyms: ZINC03632771

Molecular Formula: C17H20NO+Molecular Weight: 254.346800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: OGCGXUGBDJGFFY-MRXNPFEDSA-O

• 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-(4-Nitrophenyl)piperazine
IUPAC Name: 1-(4-nitrophenyl)piperazine | CAS Registry Number: 6269-89-2
Synonyms: Piperazine, 1-(4-nitrophenyl)-, Oprea1_305105, 1-(4-Nitrophenyl)-piperazine, 279773_ALDRICH, TOS-BB-0562, NSC33874, EINECS 228-443-7, SBB003475, ST5213758, TL8004239, InChI=1/C10H13N3O2/c14-13(15)10-3-1-9(2-4-10)12-7-5-11-6-8-12/h1-4,11H,5-8H

Molecular Formula: C10H13N3O2Molecular Weight: 207.229120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: VWOJSRICSKDKAW-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-Hydroxy Phenyl Acetic Acid
IUPAC Name: 2-(2-hydroxyphenyl)acetic acid | CAS Registry Number: 614-75-5
Synonyms: 2-Hydroxyphenylacetate, 2-Hydroxyphenylacetic acid, 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

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

InChIKey: CCVYRRGZDBSHFU-UHFFFAOYSA-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

• 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

• 2-(2-Methoxyphenoxy)ethylamine hydrochloride
IUPAC Name: 2-(2-methoxyphenoxy)ethanamine;hydrochloride | CAS Registry Number: 64464-07-9
Synonyms: 2-(2-Methoxyphenoxy)ethylamine Hydrochloride, 2-(2-methoxyphenoxy)ethanamine Hydrochloride, 2-(2-Methoxyphenoxy)Ethylamine HCL, 2-(2-Methoxphenoxyl) Ethylamine HCl, 1-(2-Aminoethoxy)-2-methoxybenzene Hydrochloride, ACMC-1B7JW, AC1MC79N, SureCN1623557, KSC352Q5H, AC1Q3C49, CTK2F2853, MolPort-003-824-575, BB_SC-2768, methoxyphenoxyethanaminehydrochloride, ANW-52068, SBB093198, AKOS005073387, 2-(2-Aminoethoxy)anisole Hydrochloride, AC-1996, AG-A-28932

Molecular Formula: C9H14ClNO2Molecular Weight: 203.665960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: KNWPXZOMSZABHD-UHFFFAOYSA-N

• 2-Cyanopiperidine
IUPAC Name: piperidine-2-carbonitrile | CAS Registry Number: 42457-10-3
Synonyms: 2-cyanopiperidine, Piperidine-2-carbonitrile, Pipecolonitrile, 2-piperidinecarbonitrile, (S)-2-CYANOPIPERIDINE, 2-Cyano-piperidinehydrochloride, pipecolinonitrile, PubChem23031, AC1L4DP0, AGN-PC-00MLC8, SureCN4824916, PIPERIDINE CARBONITRILE, (2S)-piperidine-2-carbonitrile, MolPort-003-983-323, (+/-)-2-CYANOPIPERIDINE, ANW-75173, SBB066879, AKOS001297611, AB13841, AK-39015

Molecular Formula: C6H10N2Molecular Weight: 110.157000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: YAVXLTMRALFZIS-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

• 2-Nitro Terephthalic Acid Dimethyl Ester
IUPAC Name: dimethyl 2-nitrobenzene-1,4-dicarboxylate | CAS Registry Number: 5292-45-5
Synonyms: Dimethyl nitroterephthalate, Dimethyl 2-nitroterephthalate, 205362_ALDRICH, NSC 5056, EINECS 226-134-1, NSC5056, Terephthalic acid, nitro-, dimethyl ester, Dimethyl 2-nitrobenzene-1,4-dicarboxylate, ZINC01081320, 1,4-Benzenedicarboxylic acid, 2-nitro-, dimethyl ester, LS-184945, ST5308295, DIMETHYL 2-NITRO-1,4-BENZENEDICARBOXYLATE

Molecular Formula: C10H9NO6Molecular Weight: 239.181560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: PAYWCKGMOYQZAW-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

• 1,2,3,4-Tetrahydro-4-Oxo Carbazole (CAS: 206647-27-0)
• 2,4 Dichloro Meta Xylenol
IUPAC Name: 2,4-dichloro-3,5-dimethylphenol | CAS Registry Number: 133-53-9
Synonyms: Dichloroxylenol, Decasept, Ottacide, Prinsyl, Hewsol, Dixol, Dichlorxylenolum, DCMX, Dichloro-m-xylenol, Dicloroxilenolo [DCIT], 2,4-Dichloro-M,5-xylenol, 3,5-Xylenol, 2,4-dichloro-, Dicloroxilenol [INN-Spanish], Dichloroxylenolum [INN-Latin], 2,4-Dichloro-3,5-dimethylphenol, 3,5-Dimethyl-2,4-dichlorophenol, Phenol, 2,4-dichloro-3,5-dimethyl-, Dichloroxylenol [BAN:DCF:INN], HSDB 2778, 2,4-DICHLORO-3,5-XYLENOL

Molecular Formula: C8H8Cl2OMolecular Weight: 191.054520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: IYOLBFFHPZOQGW-UHFFFAOYSA-N

• 2-(4'-Chlorophenoxy)aniline
IUPAC Name: 2-(4-chlorophenoxy)aniline | CAS Registry Number: 2770-11-8
Synonyms: 2-(4-Chlorophenoxy)aniline, EINECS 220-461-3, CID76010

Molecular Formula: C12H10ClNOMolecular Weight: 219.666900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: QKKBREBZMUFUDS-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

• 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-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-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

• 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

• 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-fluoro-indazole-3-carboxylic Acid
IUPAC Name: 5-fluoro-1H-indazole-3-carboxylic acid | CAS Registry Number: 1077-96-9
Synonyms: 5-fluoro-1H-indazole-3-carboxylic acid, 5-FLUORO-3-INDAZOLECARBOXYLIC ACID, 5-Fluoro-indozole-3-carboxylic acid, AG-D-23778, 1H-Indazole-3-carboxylicacid,5-fluoro-, 5-FLUORO-INDAZOLE-3-CARBOXYLIC ACID, PubChem7828, ACMC-2098xg, SureCN956608, AGN-PC-003AEQ, CTK0H4383, MolPort-000-003-792, ANW-15842, BBL021777, SBB067599, STK894494, WTI-10297, AKOS005144133, AB16475, MCULE-1490373274

Molecular Formula: C8H5FN2O2Molecular Weight: 180.135903 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: XFHIMKNXBUKQNS-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

• 3-Trifluoromethyl Benzaldehyde
IUPAC Name: 3-(trifluoromethyl)benzaldehyde | CAS Registry Number: 454-89-7
Synonyms: 3-(Trifluoromethyl)benzaldehyde, 3-Trifluoromethylbenzaldehyde, Benzaldehyde, 3-(trifluoromethyl)-, m-Trifluoromethylbenzaldehyde, a,a,a-trifluoro-m-tolualdehyde, 196878_ALDRICH, EINECS 207-228-1, ALBB-008922, JRD-0026, ZINC00164958, alpha,alpha,alpha-Trifluoro-3-tolualdehyde, alpha,alpha,alpha-Trifluoro-m-tolualdehyde, TL806332, alpha,alpha,alpha-Trifluoro-m-toluylaldehyde, LS-184877, ST5411791, InChI=1/C8H5F3O/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-5

Molecular Formula: C8H5F3OMolecular Weight: 174.119910 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: NMTUHPSKJJYGML-UHFFFAOYSA-N

• 2-Chloro-4-NitroBenzoic Acid
IUPAC Name: 2-chloro-4-nitrobenzoic acid | CAS Registry Number: 99-60-5
Synonyms: 2-CHLORO-4-NITROBENZOIC ACID, WLN: WNR CG DVQ, Benzoic acid, 2-chloro-4-nitro-, NSC150, C59602_ALDRICH, NSC 150, 25410_FLUKA, EINECS 202-771-0, AIDS019397, Kyselina 2-chloro-4-nitrobenzoova, AIDS-019397, BRN 1912836, SBB000403, AI3-33426, Kyselina 2-chloro-4-nitrobenzoova [Czech], LS-36571, TL80073611, 4-09-00-01229 (Beilstein Handbook Reference), InChI=1/C7H4ClNO4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3H,(H,10,11

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

InChIKey: QAYNSPOKTRVZRC-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

• 2,6-Dihydroxybenzoic Acid
IUPAC Name: 2,6-dihydroxybenzoic acid | CAS Registry Number: 303-07-1
Synonyms: gamma-Resorcylic acid, 2-Carboxyresorcinol, 2,6-Resorcylic acid, 6-Hydroxysalicylic acid, .gamma.-Resorcylic acid, Benzoic acid, 2,6-dihydroxy-, 2,6-DIHYDROXYBENZOIC ACID, gamma-Resorcylic acid (8CI), D109606_ALDRICH, EINECS 206-134-8, NSC 49172, BB_SC-2393, NSC49172, BRN 2209755, LS-37058, TL806248, 4-10-00-01456 (Beilstein Handbook Reference), BENZOIC ACID,2,6-DIHYDROXY MFC7 H6 O4, InChI=1/C7H6O4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9H,(H,10,11, GRE

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

InChIKey: AKEUNCKRJATALU-UHFFFAOYSA-N

• 6-fluoro-1h-indazole-3-carboxylic Acid
IUPAC Name: 6-fluoro-1H-indazole-3-carboxylic acid | CAS Registry Number: 129295-30-3
Synonyms: 6-fluoro-1H-indazole-3-carboxylic Acid, 6-Fluoro-3-indozole-carboxylic acid, 6-FLUORO-3-(1H)INDAZOLE CARBOXYLIC ACID, F2167-0193, SureCN2816583, CTK4B6230, MolPort-005-933-666, ANW-61497, SBB089633, STL302118, WTI-11412, AKOS006228327, AB16519, AG-D-59774, MCULE-4509610053, RP03180, AC-12211, AK-39513, KB-45391, 6-fluoranyl-1H-indazole-3-carboxylic acid

Molecular Formula: C8H5FN2O2Molecular Weight: 180.135903 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: KNPFUABTEGLQBG-UHFFFAOYSA-N

• 1,2-Naphthalenedione
IUPAC Name: naphthalene-1,2-dione | CAS Registry Number: 524-42-5
Synonyms: o-Naphthoquinone, 1,2-NAPHTHOQUINONE, beta-Naphthoquinone, 1,2-Naphthaquinone, .beta.-Naphthoquinone, ortho-naphthoquinone, 1,2-Naftochinon [Czech], CCRIS 1558, WLN: L66 BVVJ, HSDB 2036, MLS000069467, 346616_ALDRICH, 1,2-Dione-Based Compound, 8, NSC 9831, EINECS 208-360-2, C10H6O2, NSC9831, 1,2-Dihydro-1,2-diketo-naphthalene, AIDS017889, BB_SC-0615

Molecular Formula: C10H6O2Molecular Weight: 158.153440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: KETQAJRQOHHATG-UHFFFAOYSA-N

• 3-Trifluoromethyl Benzoic Acid
IUPAC Name: 3-(trifluoromethyl)benzoic acid | CAS Registry Number: 454-92-2
Synonyms: 3-(Trifluoromethyl)benzoic acid, 3-Carboxybenzotrifluoride, 3-Trifluoromethylbenzoate, m-CARBOXYBENZOTRIFLUORIDE, 188344_ALDRICH, m-(Trifluoromethyl)benzoic acid, 91770_FLUKA, AIDS018130, alpha,alpha,alpha-Trifluoro-m-toluic acid, AIDS-018130, JRD-0051, NSC43025, 3-TRIFLUOROMETHYLBENZOIC ACID, Benzoic acid, 3-(trifluoromethyl)-, EINECS 207-230-2, NSC 43025, SBB003661, alpha,alpha,alpha-Tri-fluoro-m-toluic acid, Benzoic acid, 3-(trifluoromethyl)- (9CI), TL8003158

Molecular Formula: C8H5F3O2Molecular Weight: 190.119310 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 5

InChIKey: FQXQBFUUVCDIRK-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

• 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

• 3,4-Dimethoxyphenylacetic Acid
IUPAC Name: 2-(3,4-dimethoxyphenyl)acetic acid | CAS Registry Number: 93-40-3
Synonyms: Homoveratric acid, 3,4-Dimethoxyphenylacetic acid, Benzeneacetic acid, 3,4-dimethoxy-, ChemDiv3_014360, Acetic acid, (3,4-dimethoxyphenyl)-, 3,4-Dimethoxybenzeneacetic acid, 3,4-Dimethoxyphenyl acetic acid, D135909_ALDRICH, (3,4-DIMETHOXYPHENYL)ACETIC ACID, NSC 2753, 53650_FLUKA, EINECS 202-244-5, NSC2753, 3,4-(Dimethoxy)benzeneacetic acid, 3,4-(Dimethoxyphenyl) acetic acid, NSC27897, BRN 1110282, AI3-23354, IDI1_030158, LS-11803

Molecular Formula: C10H12O4Molecular Weight: 196.199880 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: WUAXWQRULBZETB-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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