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• 2-Fluoro-4-hydroxybenzonitrile
IUPAC Name: 2-fluoro-4-hydroxybenzonitrile | CAS Registry Number: 82380-18-5
Synonyms: 417440_ALDRICH, ZINC00161696, KM 10855, InChI=1/C7H4FNO/c8-7-3-6(10)2-1-5(7)4-9/h1-3,10

Molecular Formula: C7H4FNOMolecular Weight: 137.111163 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: REIVHYDACHXPNH-UHFFFAOYSA-N

• 2'-Fluoroacetophenone
IUPAC Name: 1-(2-fluorophenyl)ethanone | CAS Registry Number: 445-27-2
Synonyms: o-Fluoroacetophenone, 2-Fluoroacetophenone, 1-(2-Fluorophenyl)ethanone, 183717_ALDRICH, 46430_FLUKA, CID96744, NSC88297, EINECS 207-156-0, ZINC00157320, InChI=1/C8H7FO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H

Molecular Formula: C8H7FOMolecular Weight: 138.138983 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QMATYTFXDIWACW-UHFFFAOYSA-N

• 4-Aminocinnamic acid ethyl ester
IUPAC Name: ethyl (E)-3-(4-aminophenyl)prop-2-enoate | CAS Registry Number: 5048-82-8
Synonyms: Ethyl 4-aminocinnamate, Ethyl p-aminocinnamate, Ambap7714, 576654_ALDRICH, Cinnamic acid, p-amino-, ethyl ester, NSC44439, EINECS 225-747-1, CID736317, NSC 44439, ZINC00157063, TL8003348, D1356, 2-Propenoic acid, 3-(4-aminophenyl)-, ethyl ester

Molecular Formula: C11H13NO2Molecular Weight: 191.226420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: NRPMBSHHBFFYBF-VMPITWQZSA-N

• 2-Acetyltoluene
IUPAC Name: 1-(2-methylphenyl)ethanone | CAS Registry Number: 577-16-2
Synonyms: o-Acetyltoluene, o-Methylacetophenone, 2-Methylacetophenone, 2'-Methylacetylphenone, o-Methyl acetophenone, Acetophenone, 2'-methyl-, Methyl o-tolyl ketone, 2'-METHYLACETOPHENONE, METHYLACETOPHENONE, Ethanone, 1-(2-methylphenyl)-, 1-(2-Methylphenyl)ethanone, M26593_ALDRICH, 1-(Methylphenyl)ethan-1-one, Ethanone, 1-(methylphenyl)-, 65460_FLUKA, Acetophenone, 2'-methyl- (8CI), NSC84233, EINECS 209-408-5, EINECS 247-691-7, NSC 84233

Molecular Formula: C9H10OMolecular Weight: 134.175100 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YXWWHNCQZBVZPV-UHFFFAOYSA-N

• 3-Bromobenzonitrile
IUPAC Name: 3-bromobenzonitrile | CAS Registry Number: 6952-59-6
Synonyms: m-Bromobenzonitrile, Benzonitrile, m-bromo-, Benzonitrile, 3-bromo-, 3-BROMOBENZONITRILE, 1-Bromo-3-cyanobenzene, B58202_ALDRICH, Benzonitrile, 3-bromo- (9CI), EINECS 230-127-9, NSC 59731, NSC59731, ZINC00404307, LS-38644, TL806139, ST5406340, InChI=1/C7H4BrN/c8-7-3-1-2-6(4-7)5-9/h1-4

Molecular Formula: C7H4BrNMolecular Weight: 182.017360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: STXAVEHFKAXGOX-UHFFFAOYSA-N

• 1,4,7-triazacyclononane
IUPAC Name: 1,4,7-triazonane | CAS Registry Number: 4730-54-5
Synonyms: tacn, Triethylenetriamine, 1,4,7-Triazonane, 1,4,7-Triazacyclononane, [9]aneN3, 311308_ALDRICH, 90610_FLUKA, CHEBI:37405, Octahydro-1H-1,4,7-triazonine, NSC681101, AIDS148536, AIDS-148536, 1H-1,4,7-Triazonine, octahydro-, CID188318, NSC 681101, NCI60_028927, InChI=1/C6H15N3/c1-2-8-5-6-9-4-3-7-1/h7-9H,1-6H

Molecular Formula: C6H15N3Molecular Weight: 129.203400 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 3

InChIKey: ITWBWJFEJCHKSN-UHFFFAOYSA-N

• 2-Methyl-1,1,3,3-tetraethoxypropane
IUPAC Name: 1,1,3,3-tetraethoxy-2-methylpropane | CAS Registry Number: 10602-37-6
Synonyms: EINECS 234-225-2, 1,1,3,3-Tetraethoxy-2-methylpropane, CID82761

Molecular Formula: C12H26O4Molecular Weight: 234.332440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XTYLJMKJLMHFJK-UHFFFAOYSA-N

• 3-(Diphenylmethylene)-1,1-diethyl-2-methylpyrrolidinium bromide
IUPAC Name: 3-benzhydrylidene-1,1-diethyl-2-methylpyrrolidin-1-ium bromide | CAS Registry Number: 4630-95-9
Synonyms: prifinium bromide, Padrin, Riabal, Pyrodifenium bromide, Padrin (TN), Prifinio bromuro [DCIT], Prifinium bromide [INN:JAN], Prifinii bromidum [INN-Latin], Prifinium bromide (JAN/INN), Bromure de prifinium [INN-French], Bromuro de prifinio [INN-Spanish], EINECS 225-051-8, C22H28N, LS-138326, D01377, 1,1-Diethyl-2-methyl-3-diphenylmethylenepyrrolidinium bromide, 3-(Diphenylmethylene)-1-ethyl-2-methylpyrrolidine ethyl bromide, Pyrrolidinium, 1,1-diethyl-3-diphenylmethylene-2-methyl-, bromide, Pyrrolidinium, 3-(diphenylmethylene)-1,1-diethyl-2-methyl-, bromide, 3-(diphenylmethylidene)-1,1-diethyl-2-methylpyrrolidinium bromide

Molecular Formula: C22H28BrNMolecular Weight: 386.368420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: UCGJZJXOPSNTGZ-UHFFFAOYSA-M

• 3-IODOANILINE (CAS: 626-62-8)
• 4-Nitro-1-Iodobenzene
IUPAC Name: (3R)-3-[(3,4-dihydroxyphenyl)methyl]-4-methoxy-2,4-dihydrochromene-3,7-diol | CAS Registry Number: 104778-16-7
Synonyms: 4-O-methylsappanol

Molecular Formula: C17H18O6Molecular Weight: 318.325 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 6

InChIKey: HHDPKXQKOWHDNA-ZYMOGRSISA-N

• 2-Chlorophenothiazine
IUPAC Name: 2-chloro-10H-phenothiazine | CAS Registry Number: 92-39-7
Synonyms: 2-Chloro-10H-phenothiazine, 10H-Phenothiazine, 2-chloro-, 2-Chlorothiodiphenylamine, 2-CHLOROPHENOTHIZINE, PHENOTHIAZINE, 2-CHLORO-, Oprea1_205445, C63006_ALDRICH, NSC17469, 26495_FLUKA, EINECS 202-152-5, NSC 17469, AIDS031695, NSC 170953, WLN: T C666 BM ISJ EG, AIDS-031695, NSC67188, NSC170953, SBB003255, ZINC00035809, LS-105338

Molecular Formula: C12H8ClNSMolecular Weight: 233.716620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KFZGLJSYQXZIGP-UHFFFAOYSA-N

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

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

InChIKey: XMIIGOLPHOKFCH-UHFFFAOYSA-N

• 2-Fluoropyrazine 98
IUPAC Name: 2-fluoropyrazine | CAS Registry Number: 4949-13-7
Synonyms: 2-fluoropyrazine, Fluoropyrazine, pyrazine, 2-fluoro-, ZINC02506842, CID642835, TL8003293, InChI=1/C4H3FN2/c5-4-3-6-1-2-7-4/h1-3

Molecular Formula: C4H3FN2Molecular Weight: 98.078423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IJUHIGIZXFLJOY-UHFFFAOYSA-N

• 2-Bromobiphenyl
IUPAC Name: 3-diethoxyphosphoryl-4-methylpent-1-en-3-ol | CAS Registry Number: 2052-57-5
Synonyms: (1-Hydroxy-1-isopropylallyl)phosphonic acid diethyl ester, 052H575

Molecular Formula: C10H21O4PMolecular Weight: 236.248 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: PDGGUAUBIYMOAN-UHFFFAOYSA-N

• 2-Amino-3-methoxybenzoic acid
IUPAC Name: 2-amino-3-methoxybenzoic acid | CAS Registry Number: 3177-80-8
Synonyms: 3-Methoxyanthranilic acid, 3-Methoxyanthranilate, m-Anisic acid, 2-amino-, 3-Methoxy-2-aminobenzoic acid, 340103_ALDRICH, CHEBI:27440, Benzoic acid, 2-amino-3-methoxy-, NSC81443, C05831, InChI=1/C8H9NO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,9H2,1H3,(H,10,11

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SXOPCLUOUFQBJV-UHFFFAOYSA-N

• 4-Bromo-4'-fluorobiphenyl
IUPAC Name: 1-bromo-4-(4-fluorophenyl)benzene | CAS Registry Number: 398-21-0
Synonyms: 550450_ALDRICH, Biphenyl, 4-bromo-4'-fluoro-, NSC91565, EINECS 206-909-0, 4-Bromo-4'-fluoro-1,1'-biphenyl

Molecular Formula: C12H8BrFMolecular Weight: 251.094323 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XFGPSHWWPIFPNL-UHFFFAOYSA-N

• 4,4'-Difluorobiphenyl
IUPAC Name: 1-fluoro-4-(4-fluorophenyl)benzene | CAS Registry Number: 398-23-2
Synonyms: 4,4'-Difluorodiphenyl, Biphenyl, 4,4'-difluoro-, 4,4-DIFLUOROBIPHENYL, D102407_ALDRICH, NSC4173, 1,1'-Biphenyl, 4,4'-difluoro-, 4,4'-Difluoro-1,1'-biphenyl, CID9811, NSC 4173, EINECS 206-910-6, Biphenyl, 4,4'-difluoro- (8CI), TE2057, 1,1'-Biphenyl, 4,4'-difluoro- (9CI), AI3-19148

Molecular Formula: C12H8F2Molecular Weight: 190.188726 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PZDAAZQDQJGXSW-UHFFFAOYSA-N

• 4-Cyano-4'-pentylbiphenyl
IUPAC Name: 4-(4-pentylphenyl)benzonitrile | CAS Registry Number: 40817-08-1
Synonyms: p-Cyano-p'-pentylbiphenyl, 4-Cyano-4'-n-pentylbiphenyl, 328510_ALDRICH, 4'-Pentyl-4-biphenylcarbonitrile, 4'-pentylbiphenyl-4-carbonitrile, 4?-Pentyl-biphenyl-4-carbonitrile, EINECS 255-093-2, SBB008542, ZINC02168230, [1,1'-Biphenyl]-4-carbonitrile, 4'-pentyl-, 4'-Pentyl[1,1'-biphenyl]-4-carbonitrile, FR-2240, 4'-Pentyl(1,1'-biphenyl)-4-carbonitrile, TL8002965, (1,1'-Biphenyl)-4-carbonitrile, 4'-pentyl-, 118217-27-9, 99039-09-5, InChI=1/C18H19N/c1-2-3-4-5-15-6-10-17(11-7-15)18-12-8-16(14-19)9-13-18/h6-13H,2-5H2,1H, PCB

Molecular Formula: C18H19NMolecular Weight: 249.350160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HHPCNRKYVYWYAU-UHFFFAOYSA-N

• 4-Ethyl-4'-cyanobiphenyl
IUPAC Name: 4-(4-ethylphenyl)benzonitrile | CAS Registry Number: 58743-75-2
Synonyms: Ambap1007, 4-Cyano-4'-ethylbiphenyl, ZINC01260186, CID93890, EINECS 261-414-7, 4'-Ethyl(1,1'-biphenyl)-4-carbonitrile, 4'-Ethyl[1,1'-biphenyl]-4-carbonitrile, TL8003759, (1,1'-Biphenyl)-4-carbonitrile, 4'-ethyl-, [1,1'-Biphenyl]-4-carbonitrile, 4'-ethyl-

Molecular Formula: C15H13NMolecular Weight: 207.270420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: DLLIPJSMDJCZRF-UHFFFAOYSA-N

• 1-Naphthalenamine, 5,8-dihydro-
IUPAC Name: 5,8-dihydronaphthalen-1-amine | CAS Registry Number: 32666-56-1
Synonyms: 5,8-DIHYDRO-1-NAPHTHALENAMINE, 5,8-dihydronaphthalen-1-amine, AG-F-09368, AC1L8WQC, 6976-13-2, SureCN8527304, CTK2F7756, AKOS006306950, KB-196384

Molecular Formula: C10H11NMolecular Weight: 145.201040 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: XISXRVFRLOWUBM-UHFFFAOYSA-N

• 2-Methoxybenzyl chloride
IUPAC Name: 1-(chloromethyl)-2-methoxybenzene | CAS Registry Number: 7035-02-1
Synonyms: Ambap2079, o-Methoxybenzyl chloride, 2-(Chloromethyl)anisole, 1-(Chloromethyl)-2-methoxybenzene, Benzene, 1-(chloromethyl)-2-methoxy-, EINECS 230-312-4, ZINC02528046

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

InChIKey: UAWVMPOAIVZWFQ-UHFFFAOYSA-N

• 4'-Ethoxyphenyl acetylene
IUPAC Name: 1-ethoxy-4-ethynylbenzene | CAS Registry Number: 79887-14-2
Synonyms: 4-ethoxyphenylacetylene, 1-ethoxy-4-ethynylbenzene, 1-ethoxy-4-ethynyl-benzene, 4'-Ethoxyphenylacetylene, 1-ethoxy-4-eth-1-ynylbenzene, SBB064838, AG-H-20196, ZINC02555802, p-ethoxyethynylbenzene, AC1MCPZY, 4-ethoxy phenyl acetylene, 1-ethynyl-4-ethoxybenzene, ACMC-20a2h1, 4-ethoxy-1-ethynyl-benzene, KSC493G5N, CTK3J3356, MolPort-001-761-972, ANW-54131, AKOS005146064, MCULE-2336333020

Molecular Formula: C10H10OMolecular Weight: 146.185800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: FRGNOZUOTHMJSC-UHFFFAOYSA-N

• 2-Bromo-6-Nitroaniline
IUPAC Name: 2-bromo-6-nitroaniline | CAS Registry Number: 59255-95-7
Synonyms: 2-Bromo-6-nitroaniline, 2-bromo-6-nitrobenzenamine, 2-Amino-3-bromonitrobenzene, Benzenamine, 2-bromo-6-nitro-, SBB051696, PubChem2534, ACMC-1AT4T, 2-bromo-6-nitrophenylamine, AGN-PC-009QWS, SureCN2255970, KSC494C0P, CTK3J4107, MolPort-001-758-880, ANW-33207, CL8978, ZINC15021413, AKOS007930866, AC-3721, AG-G-10922, AM61589

Molecular Formula: C6H5BrN2O2Molecular Weight: 217.020100 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KKMOSYLWYLMHAL-UHFFFAOYSA-N

• 4-Trans-N-Amyl-Cyclohexylcyclohexanol
IUPAC Name: 4-(4-pentylcyclohexyl)cyclohexan-1-ol | CAS Registry Number: 82575-70-0
Synonyms: TRANS-4-(TRANS-4-PENTYLCYCLOHEXYL)CYCLOHEXANOL, AG-H-30475, 4-(4-pentylcyclohexyl)cyclohexan-1-ol, AC1MITDN, BAS 01123619, SureCN4657593, SureCN4657594, SureCN8913222, SureCN8913228, KSC494E5H, 4'-Pentyl-bicyclohexyl-4-ol, CTK3J4253, MolPort-001-956-098, ANW-59709, ZINC02023184, AKOS000508279, AKOS015839694, AKOS016003821, AK-40315, KB-261115

Molecular Formula: C17H32OMolecular Weight: 252.435380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: LGORKSSOIBSSJH-UHFFFAOYSA-N

• 2-Amino-5-(cyclopentyloxy)benzoic acid
IUPAC Name: 2-amino-5-cyclopentyloxybenzoic acid | CAS Registry Number: 219527-53-4
Synonyms: AKOS010213961, 2-amino-5-(cyclopentyloxy)Benzoic acid, DA-08080

Molecular Formula: C12H15NO3Molecular Weight: 221.252400 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GFUZLOBVCYOWPJ-UHFFFAOYSA-N

• 3-Phenyl Propanoic Acid Ethyl Ester
IUPAC Name: ethyl 3-phenylpropanoate | CAS Registry Number: 2021-28-5
Synonyms: Ethyl hydrocinnamate, Ethyl dihydrocinnamate, Ethylhydrocinnamoate, Ethyl 3-phenylpropanoate, Ethyl 3-phenylpropionate, Hydrocinnamic acid, ethyl ester, Benzenepropanoic acid, ethyl ester, ETHYL BENZENEPROPANOATE, W245518_ALDRICH, FEMA No. 2455, 284416_ALDRICH, 56675_FLUKA, EINECS 217-966-6, NSC126040, ZINC00058257, Hydrocinnamic acid, ethyl ester (8CI), NSC 126040, AI3-11591, ST5331803, InChI=1/C11H14O2/c1-2-13-11(12)9-8-10-6-4-3-5-7-10/h3-7H,2,8-9H2,1H

Molecular Formula: C11H14O2Molecular Weight: 178.227660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: JAGZUIGGHGTFHO-UHFFFAOYSA-N

• 3-Phenyl Propanoic Acid Methyl Ester
IUPAC Name: methyl 3-phenylpropanoate | CAS Registry Number: 103-25-3
Synonyms: Methyl hydrocinnamate, Methyl 3-phenylpropanoate, Methyl dihydrocinnamate, Methyl 3-phenylpropionate, Methyl benzenepropanoate, Hydrocinnamic acid, methyl ester, Benzenepropanoic acid, methyl ester, Methyl beta-phenylpropionate, METHYL PHENYLPROPIONATE, Methyl .beta.-phenylpropionate, FEMA No. 2741, CID7643, NSC10128, EINECS 203-092-2, .beta.-Phenylpropionic acid methyl ester, NSC 10128, NSC404188, ZINC00396313, beta-Phenylpropionic acid methyl ester, Hydrocinnamic acid, methyl ester (8CI)

Molecular Formula: C10H12O2Molecular Weight: 164.201080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: RPUSRLKKXPQSGP-UHFFFAOYSA-N

• 3-Phenyl Propionyl Chloride
IUPAC Name: 3-phenylpropanoyl chloride | CAS Registry Number: 645-45-4
Synonyms: Hydrocinnamoyl chloride, Benzenepropanoyl chloride, Hydrocinnamyl chloride, 3-Phenylpropionyl chloride, 3-Phenylpropanoyl chloride, Dihydrocinnamoyl chloride, Propionyl chloride, 3-phenyl-, beta-Phenylpropanoyl chloride, beta-Phenylpropionyl chloride, .beta.-Phenylpropanoyl chloride, .beta.-Phenylpropionyl chloride, 249440_ALDRICH, NSC 2854, 56676_FLUKA, EINECS 211-443-6, NSC2854, CID64801, BRN 0742586, ZINC01641183, AI3-18968

Molecular Formula: C9H9ClOMolecular Weight: 168.620160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: MFEILWXBDBCWKF-UHFFFAOYSA-N

• 4-Fluoro-2-methylphenylboronic acid
IUPAC Name: (4-fluoro-2-methylphenyl)boronic acid | CAS Registry Number: 139911-29-8
Synonyms: Ambap1119, 565652_ALDRICH, BM271, TL8000899

Molecular Formula: C7H8BFO2Molecular Weight: 153.946623 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: IQMLIVUHMSIOQP-UHFFFAOYSA-N

• 3-Cyclopentylpropanoic acid
IUPAC Name: 3-cyclopentylpropanoic acid | CAS Registry Number: 140-77-2
Synonyms: Cyclopentanepropanoic acid, Cyclopentanepropionic acid, Cyclopentylpropionic acid, 3-Cyclopentylpropionic acid, Propionic acid, 3-cyclopentyl-, C115908_ALDRICH, CYCLOPENTYLPROPRIONIC ACID, Cyclopentanepropionic acid (8CI), NSC8771, NSC 8771, EINECS 205-433-0, NCGC00166228-01, AI3-14247, ST5213947

Molecular Formula: C8H14O2Molecular Weight: 142.195560 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZRPLANDPDWYOMZ-UHFFFAOYSA-N

• 3,5-Dibenzyloxybenzaldehyde
IUPAC Name: 3,5-bis(phenylmethoxy)benzaldehyde | CAS Registry Number: 14615-72-6
Synonyms: 368105_ALDRICH, Benzaldehyde, 3,5-dibenzyloxy-, ZINC02149644, CID561351, SBB008628, Benzaldehyde, 3,5-bis(phenylmethoxy)-, FR-2345

Molecular Formula: C21H18O3Molecular Weight: 318.365820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CHUAMRVJSRBRHT-UHFFFAOYSA-N

• 4-Pentylphenyl 4-Methylbenzoate
IUPAC Name: (4-pentylphenyl) 4-methylbenzoate | CAS Registry Number: 50649-59-7
Synonyms: p-Amylphenyl p-toluate, 4-Pentylphenyl p-toluate, p-Pentylphenyl p-methylbenzoate, 665754_ALDRICH, 4-Pentylphenyl 4-methylbenzoate, EINECS 256-683-2, ZINC22002057, CID6452229

Molecular Formula: C19H22O2Molecular Weight: 282.376780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: OFNFLSYTTLXGBM-UHFFFAOYSA-N

• 2'-Chloroacetophenone
IUPAC Name: 1-(2-chlorophenyl)ethanone | CAS Registry Number: 2142-68-9
Synonyms: o-Chloroacetophenone, o-Chloroacetophonone, Acetophenone, 2'-chloro-, Ethanone, 1-(2-chlorophenyl)-, omega-Chloroacetophenone, 183709_ALDRICH, EINECS 218-397-6, AIDS017940, NSC 405474, AIDS-017940, BRN 1858916, NSC405474, ZINC01598575, AI3-15920, LS-13413, ST5213422, 4-07-00-00638 (Beilstein Handbook Reference)

Molecular Formula: C8H7ClOMolecular Weight: 154.593580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZDOYHCIRUPHUHN-UHFFFAOYSA-N

• 4-Bromo Diphenyl
IUPAC Name: 1-bromo-4-phenylbenzene | CAS Registry Number: 92-66-0
Synonyms: 4-BROMOBIPHENYL, p-Bromobiphenyl, 4-Bromodiphenyl, p-Bromodiphenyl, Biphenyl, 4-bromo-, 4-Biphenyl bromide, p-Phenylbromobenzene, p-Biphenylyl bromide, 4-Bromo-biphenyl, 4-Biphenylyl bromide, 1,1'-Biphenyl, 4-bromo-, p-Phenylphenyl bromide, (4-Bromophenyl)benzene, 4-Bromo-1,1'-biphenyl, CCRIS 5890, MLS002152887, 281999_ALDRICH, 36919_RIEDEL, 16480_FLUKA, EINECS 202-176-6

Molecular Formula: C12H9BrMolecular Weight: 233.103860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PKJBWOWQJHHAHG-UHFFFAOYSA-N

• 4,4'-Dibromo Biphenyl
IUPAC Name: 1-bromo-4-(4-bromophenyl)benzene | CAS Registry Number: 92-86-4
Synonyms: p,p'-Dibromobiphenyl, 4,4'-DIBROMOBIPHENYL, Biphenyl, 4,4'-dibromo-, 4,4'-Dibromodiphenyl, 1,1'-Biphenyl, 4,4'-dibromo-, 229237_ALDRICH, 442398_SUPELCO, 34030_FLUKA, 4,4'-Dibromo-1,1'-biphenyl, NSC2098, NSC 2098, Biphenyl, 4,4'-dibromo- (8CI), EINECS 202-198-6, ZINC00388501, AI3-17378, TL8005902, A2375/0100447, InChI=1/C12H8Br2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8

Molecular Formula: C12H8Br2Molecular Weight: 311.999920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: HQJQYILBCQPYBI-UHFFFAOYSA-N

• 3,5-Dimethoxyaniline
IUPAC Name: 3,5-dimethoxyaniline | CAS Registry Number: 10272-07-8
Synonyms: 3,5-Dimethoxybenzeneamine, Benzenamine, 3,5-dimethoxy-, D130001_ALDRICH, 5-Aminoresorcinol dimethyl ether, 38600_FLUKA, EINECS 233-616-5, ZINC00164493, ST5308258, TL8000128, InChI=1/C8H11NO2/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5H,9H2,1-2H

Molecular Formula: C8H11NO2Molecular Weight: 153.178440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: WNRGWPVJGDABME-UHFFFAOYSA-N

• 1-ethyl-4-iodobenzene
IUPAC Name: ethyl 4-iodobenzoate | CAS Registry Number: 51934-41-9
Synonyms: Ethyl 4-iodobenzoate, p-Iodobenzoic acid ethyl ester, 641979_ALDRICH, 66952_FLUKA, 75022_FLUKA, ZINC00157316

Molecular Formula: C9H9IO2Molecular Weight: 276.071030 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YCBJOQUNPLTBGG-UHFFFAOYSA-N

• 2-Methoxy phenothiazine
IUPAC Name: 2-methoxy-10H-phenothiazine | CAS Registry Number: 1771-18-2
Synonyms: 2-Methoxyphenothiazine, 2-Methoxy-10H-phenothiazine, 10H-Phenothiazine, 2-methoxy-, Phenothiazine, 2-methoxy-, TimTec1_000536, Oprea1_747823, Methyl phenothiazin-2-yl ether, Phenothiazine, 2-methoxy- (8CI), NSC72107, EINECS 217-195-5, NSC 72107, ZINC00035763, 10H-Phenothiazine, 2-methoxy- (9CI), ST005542, TL8001410, SR-03000000753-1

Molecular Formula: C13H11NOSMolecular Weight: 229.297540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DLYKFPHPBCTAKD-UHFFFAOYSA-N

• 2,4-Dichlorophenylboronic Acid
IUPAC Name: (2,4-dichlorophenyl)boronic acid | CAS Registry Number: 68716-47-2
Synonyms: 2,4-Dichlorophenylboronic acid, 521388_ALDRICH, 2,4-Dichlorobenzeneboronic acid, (2,4-dichlorophenyl)boronic acid, BM264, ALBB-006108, ST5405679, TL8004818

Molecular Formula: C6H5BCl2O2Molecular Weight: 190.819700 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: QNEGDGPAXKYZHZ-UHFFFAOYSA-N

• 4-Bromo-2,6-difluorobenzonitrile
IUPAC Name: 4-bromo-2,6-difluorobenzonitrile | CAS Registry Number: 123843-67-4
Synonyms: 4-Bromo-2,6-difluoro-benzonitrile, 2,6-difluoro-4-bromobenzonitrile, SBB059420, AG-D-51083, 4-bromo-2,6-difluorobenzenecarbonitrile, 123843-67-4 4-bromo-2,6-difluorobenzonitrile, ZINC02574361, PubChem4699, AC1MBUNV, ACMC-1BYMK, SureCN974652, KSC513M5D, Jsp001592, CTK4B3651, MolPort-000-151-914, WT461, 2,6-difluoro-4-bromo-benzonitrile, 2,6-Difluoro-4-bromobenzonitrile;, ACT00183, ANW-18165

Molecular Formula: C7H2BrF2NMolecular Weight: 217.998286 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: TZHQWUAOIWRFSW-UHFFFAOYSA-N

• 3-Fluorobiphenyl
IUPAC Name: (3-fluoro-4-phenylphenyl)boronic acid | CAS Registry Number: 178305-99-2
Synonyms: 512109_ALDRICH, 2-Fluorobiphenyl-4-boronic acid, 2-Fluoro-4-biphenylylboronic acid, TF5027, ST5408206

Molecular Formula: C12H10BFO2Molecular Weight: 216.016003 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: BWYWXDFYJSIUBE-UHFFFAOYSA-N

• 4-Iodobenzonitrile
IUPAC Name: 4-iodobenzonitrile | CAS Registry Number: 3058-39-7
Synonyms: p-Cyanoiodobenzene, p-Iodobenzonitrile, Benzonitrile, 4-iodo-, Benzonitrile, p-iodo-, 579157_ALDRICH, Benzonitrile, p-iodo- (8CI), NSC87894, NSC 87894, STK078338, ZINC02022082

Molecular Formula: C7H4INMolecular Weight: 229.017830 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XOKDXPVXJWTSRM-UHFFFAOYSA-N

• 2-Chloro-6-fluorobromobenzene
IUPAC Name: 2-bromo-1-chloro-3-fluorobenzene | CAS Registry Number: 309721-44-6
Synonyms: 2-chloro-6-fluorobromobenzene, 2-Bromo-3-fluorochlorobenzene, 2-Bromo-1-chloro-3-fluorobenzene, ACMC-209hjq, SureCN1494523, CTK5I6085, MolPort-002-501-332, ANW-27012, AKOS015888491, AG-A-19085, 1-BROMO-2-CHLORO-6-FLUOROBENZENE, AK-34618, BR-34618, KB-22680, KB-228684, W5315, I01-10870

Molecular Formula: C6H3BrClFMolecular Weight: 209.443423 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GBESIUPWXGQOFP-UHFFFAOYSA-N

• 2-TRIFLUOROMETHYL-5-BROMOPYRIDINE (CAS: 43699-32-5)
• 2-Fluoro-4-iodoaniline
IUPAC Name: 2-fluoro-4-iodoaniline | CAS Registry Number: 29632-74-4
Synonyms: 306606_ALDRICH, NSC146507, ZINC00409350, InChI=1/C6H5FIN/c7-5-3-4(8)1-2-6(5)9/h1-3H,9H

Molecular Formula: C6H5FINMolecular Weight: 237.013473 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CUMTUBVTKOYYOU-UHFFFAOYSA-N

• 6,7-Dihydroxycoumarin
IUPAC Name: 6,7-dihydroxychromen-2-one | CAS Registry Number: 305-01-1
Synonyms: Esculetin, Aesculetin, Cichorigenin, Esculatin, Esculetol, Esculin aglucon, Asculetine, Cichoriin aglucon, Esculin aglycon, Cichoriin aglycon, 6,7-DIHYDROXYCOUMARIN, Coumarin, 6,7-dihydroxy-, Spectrum_001166, SpecPlus_000334, Prestwick0_000940, Prestwick1_000940, Prestwick2_000940, Prestwick3_000940, Spectrum2_000586, Spectrum3_000752

Molecular Formula: C9H6O4Molecular Weight: 178.141540 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ILEDWLMCKZNDJK-UHFFFAOYSA-N

• 5-bromo-2,3-dichloropyridine
IUPAC Name: 5-bromo-2,3-dichloropyridine | CAS Registry Number: 97966-00-2
Synonyms: 5-Bromo-2,3-dichloropyridine, 2,3-dichloro-5-bromopyridine, 5-bromo-2,3-dichloro-pyridine, AG-H-98503, PubChem1174, ACMC-209s9d, KSC679M1T, 5-bromo 2,3-dichloro pyridine, 5-Bromo-2,3-dichloropyridine,, CTK5H9619, MolPort-000-140-015, ACT03619, ANW-40895, ZINC02526708, AKOS005145582, AC-5148, AG-H-98505, LS20479, RP05420, AK-30525

Molecular Formula: C5H2BrCl2NMolecular Weight: 226.886080 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XWSCOGPKWVNQSV-UHFFFAOYSA-N

• 4-bromo propylbenzene
IUPAC Name: 1-bromo-4-propylbenzene | CAS Registry Number: 588-93-2
Synonyms: 1-Bromo-4-propylbenzene, 319880_ALDRICH, NSC97222, CID136374, ST5405273, InChI=1/C9H11Br/c1-2-3-8-4-6-9(10)7-5-8/h4-7H,2-3H2,1H

Molecular Formula: C9H11BrMolecular Weight: 199.087640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: NUPWGLKBGVNSJX-UHFFFAOYSA-N

• 3-Bromobiphenyl
IUPAC Name: 1-bromo-3-phenylbenzene | CAS Registry Number: 2113-57-7
Synonyms: m-Bromobiphenyl, 3-BROMOBIPHENYL, Biphenyl, 3-bromo-, 1,1'-Biphenyl, 3-bromo-, WLN: ER CR, 3-Bromo-1,1'-biphenyl, CCRIS 5889, 255386_ALDRICH, EINECS 218-304-9, NSC 407775, NSC407775, AI3-11169, LS-1001, NCGC00091615-01, ST5408621, InChI=1/C12H9Br/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h1-9

Molecular Formula: C12H9BrMolecular Weight: 233.103860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: USYQKCQEVBFJRP-UHFFFAOYSA-N

• 3,4-Ethylenedioxythiophene
IUPAC Name: 2,3-dihydrothieno[3,4-b][1,4]dioxine | CAS Registry Number: 126213-50-1
Synonyms: EDOT, 3,4-ethylenedioxy thiophene, 2,3-dihydrothieno[3,4-b][1,4]dioxine, SBB042427, 2H,3H-thiopheno[3,4-e]1,4-dioxane, 2,3-Dihydrothieno(3,4-b)-1,4-dioxin, 2,3-Dihydrothieno[3,4-b]-1,4-dioxin, Thieno(3,4-b)-1,4-dioxin, 2,3-dihydro-, Thieno[3,4-b]-1,4-dioxin, 2,3-dihydro-, PubChem12563, 3,4-ethylendioxythiophen, SureCN33274, ACMC-1C6SU, AC1NA6A9, 3,4-ethyl enedioxythiophene, KSC491I3H, BIDD:GT0025, 483028_ALDRICH, Jsp001672, CTK3J1433

Molecular Formula: C6H6O2SMolecular Weight: 142.175640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: GKWLILHTTGWKLQ-UHFFFAOYSA-N


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