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• 1,2,4-Trimethoxybenzene
IUPAC Name: 1,2,4-trimethoxybenzene | CAS Registry Number: 135-77-3
Synonyms: Benzene, 1,2,4-trimethoxy-, T68802_ALDRICH, EINECS 205-219-7, Hydroxyhydroquinone trimethyl ether, EPA Pesticide Chemical Code 040515, ZINC00391982, AI3-20797, NCGC00164023-01, LS-32250, ST5406125, TL8000835

Molecular Formula: C9H12O3Molecular Weight: 168.189780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AGIQIOSHSMJYJP-UHFFFAOYSA-N

• 3,5-Difluoroanisole
IUPAC Name: 1,3-difluoro-5-methoxybenzene | CAS Registry Number: 93343-10-3
Synonyms: Ambap4889, 302228_ALDRICH, ZINC00409323, JRD-1474, CID2724518, TL8005915

Molecular Formula: C7H6F2OMolecular Weight: 144.118746 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: OTGQPYSISUUHAF-UHFFFAOYSA-N

• 2-Bromo-5-fluorotoluene
IUPAC Name: 1-bromo-4-fluoro-2-methylbenzene | CAS Registry Number: 452-63-1
Synonyms: 3-Fluoro-6-bromotoluene, 365009_ALDRICH, NSC88287, EINECS 207-203-5, ZINC00160133, TL806299, ST5405135, InChI=1/C7H6BrF/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H

Molecular Formula: C7H6BrFMolecular Weight: 189.024943 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RJPNVPITBYXBNB-UHFFFAOYSA-N

• 2,4-Difluorobenzaldehyde
IUPAC Name: 2,4-difluorobenzaldehyde | CAS Registry Number: 1550-35-2
Synonyms: 2,4-Difluoro-benzaldehyde, Benzaldehyde, 2,4-difluoro-, 265179_ALDRICH, ZINC02004034, BB_SC-2414, CID73770, JRD-0033, EINECS 216-287-2, TL8001164

Molecular Formula: C7H4F2OMolecular Weight: 142.102866 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WCGPCBACLBHDCI-UHFFFAOYSA-N

• 3,5-Dibromobenzaldehyde
IUPAC Name: 3,5-dibromobenzaldehyde | CAS Registry Number: 56990-02-4
Synonyms: SBB062920, AG-G-00722, ZINC02530981, PubChem3069, ACMC-209lvd, AC1LDNA7, 3,5-Dibromo-benzaldehyde, KSC493O2P, 3,5-bis(bromanyl)benzaldehyde, 515396_ALDRICH, PARAGOS 530307, CTK3J3727, MolPort-001-768-387, ACT01137, ANW-32615, TD1151, WT1598, AKOS005215820, AB04160, AS03025

Molecular Formula: C7H4Br2OMolecular Weight: 263.914060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZLDMZIXUGCGKMB-UHFFFAOYSA-N

• 3-Chloro 2,4 Difluoronitrobenzene
IUPAC Name: 2-chloro-1,3-difluoro-4-nitrobenzene | CAS Registry Number: 3847-58-3
Synonyms: NSC10241, CID223080, ZINC00061952, A1045/0048967

Molecular Formula: C6H2ClF2NO2Molecular Weight: 193.535386 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: CTVBVNKEMCGZDF-UHFFFAOYSA-N

• 2,3-Dimethylbromobenzene
IUPAC Name: 1-bromo-2,3-dimethylbenzene | CAS Registry Number: 576-23-8
Synonyms: 3-Bromo-o-xylene, 1-Bromo-2,3-dimethylbenzene, B83789_ALDRICH, Benzene, 1-bromo-2,3-dimethyl-, NSC76561, CID68472, EINECS 209-398-2, ST5406328, InChI=1/C8H9Br/c1-6-4-3-5-8(9)7(6)2/h3-5H,1-2H

Molecular Formula: C8H9BrMolecular Weight: 185.061060 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WLPXNBYWDDYJTN-UHFFFAOYSA-N

• 3-Mercapto-1,3,4-Triazol
IUPAC Name: 1,2-dihydro-1,2,4-triazole-3-thione | CAS Registry Number: 3179-31-5
Synonyms: Mercaptotriazole, S-Triazole-3-thiol, 3-Mercapto-1,2,4-triazole, 1,2,4-Triazole-3-thiol, 1,2,4-Triazole-5-thiol, 1,3,4-Triazine-2-thiol, 1,3,4-Triazole-2-thiol, 1H-1,2,4-Triazole-3-thiol, 2-Mercapto-1,3,5-triazole, 5-Mercapto-1,3,4-triazole, 4H-1,2,4-Triazole-3-thiol, 3-Mercapto-1H-1,2,4-triazole, 3-Mercapto-4H-1,2,4-triazole, 3(5)-Mercapto-1,2,4-triazole, M4412_SIGMA, 1H-1,2,4-Triazole, 3-mercapto-, ENT 61291, 104558_ALDRICH, 2-MERCAPTO-1,3,4-TRIAZOLE, STOCK3S-07754

Molecular Formula: C2H3N3SMolecular Weight: 101.130320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 1

InChIKey: AFBBKYQYNPNMAT-UHFFFAOYSA-N

• 2-Bromo-5-chlorotoluene
IUPAC Name: 1-bromo-4-chloro-2-methylbenzene | CAS Registry Number: 14495-51-3
Synonyms: Toluene, 2-bromo-5-chloro-, 262129_ALDRICH, Benzene, 1-bromo-4-chloro-2-methyl-, EINECS 238-503-4, ST5307129, InChI=1/C7H6BrCl/c1-5-4-6(9)2-3-7(5)8/h2-4H,1H

Molecular Formula: C7H6BrClMolecular Weight: 205.479540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: RTIPTGMVQIIMKL-UHFFFAOYSA-N

• 2,5-Difluorobenzamide
IUPAC Name: 2,5-difluorobenzamide | CAS Registry Number: 85118-03-2
Synonyms: Benzamide, 2,5-difluoro-, ZINC02560634, EINECS 285-655-2, CID522831

Molecular Formula: C7H5F2NOMolecular Weight: 157.117506 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: BJKWHAILFUUIRT-UHFFFAOYSA-N

• 1,8-dibromooctane
IUPAC Name: 1,8-dibromooctane | CAS Registry Number: 4549-32-0
Synonyms: 1,8-Dibromooctane, Octamethylene dibromide, Octane, 1,8-dibromo-, D42607_ALDRICH, NSC9820, NSC 9820, EINECS 224-912-5

Molecular Formula: C8H16Br2Molecular Weight: 272.020640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: DKEGCUDAFWNSSO-UHFFFAOYSA-N

• 2,3-Diaminopyridine
IUPAC Name: pyridine-2,3-diamine | CAS Registry Number: 452-58-4
Synonyms: 2,3-Pyridinediamine, DIAMINOPYRIDINE, Pyridine, 2,3-diamino-, pyridine-2,3-diamine, Pyridine-2,3-diyldiamine, 2,3-Pyridinediamine (9CI), 125857_ALDRICH, EINECS 207-200-9, NSC 45406, NSC45406, BRN 0109869, SBB004339, AI3-52327, D102, TL806123, LS-131131, 5-22-11-00241 (Beilstein Handbook Reference), AC-907/25014077

Molecular Formula: C5H7N3Molecular Weight: 109.129180 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ZZYXNRREDYWPLN-UHFFFAOYSA-N

• 2-Bromo-5-fluorobenzonitrile
IUPAC Name: 2-bromo-5-fluorobenzonitrile | CAS Registry Number: 57381-39-2
Synonyms: 532754_ALDRICH, ZINC00403508, CID93654, EINECS 260-711-9, ST5408659, TL80074146

Molecular Formula: C7H3BrFNMolecular Weight: 200.007823 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MDHNVHCZDCSTMS-UHFFFAOYSA-N

• 1-(3-Chlorophenyl) Piperazine
IUPAC Name: 1-(3-chlorophenyl)piperazine | CAS Registry Number: 6640-24-0
Synonyms: 1-(3-Chlorophenyl)piperazine, m-Chlorophenylpiperazine, m-CPP, Tocris-0875, 3-chlorophenylpiperazine, Lopac-C-5554, meta-chlorophenylpiperazine, 1-(m-Chlorophenyl)piperazine, Biomol-NT_000129, Lopac0_000245, C10H13ClN2, 1-(3-Chlorophenyl)-piperazine, BPBio1_000067, CHEBI:10588, EINECS 229-654-7, 1-3-CPP, NSC 49307, Piperazine, 1-(3-chlorophenyl)-, ALBB-005970, NSC49307

Molecular Formula: C10H13ClN2Molecular Weight: 196.676620 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: VHFVKMTVMIZMIK-UHFFFAOYSA-N

• 3-Fluoro-4-hydroxybenzaldehyde
IUPAC Name: 3-fluoro-4-hydroxybenzaldehyde | CAS Registry Number: 405-05-0
Synonyms: 3-Fluoro-4-hydroxy-benzaldehyde, 4-hydroxy-3-fluorobenzaldehyde, SBB048182, AG-F-43627, ZINC02566026, PubChem1443, AC1LBQGN, ACMC-1ACQ8, KSC497M8T, 3-fluoro-4 hydroxybenzaldehyde, CTK3J7689, MolPort-000-155-584, 3-fluoranyl-4-oxidanyl-benzaldehyde, ACT00815, ALBB-006384, Benzaldehyde, 3-fluoro-4-hydroxy-, ANW-29424, CL8326, RW3566, STK503883

Molecular Formula: C7H5FO2Molecular Weight: 140.111803 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: QSBHJTCAPWOIIE-UHFFFAOYSA-N

• 3-Aminobenzonitrile
IUPAC Name: 3-aminobenzonitrile | CAS Registry Number: 2237-30-1
Synonyms: 3-Cyanoaniline, m-Cyanoaniline, M-AMINOBENZONITRILE, Benzonitrile, m-amino-, m-Anthranilonitrile, Benzonitrile, 3-amino-, 164771_ALDRICH, NSC 7626, 07002_FLUKA, Benzonitrile, 3-amino- (9CI), EINECS 218-800-5, NSC7626, AIDS020235, AIDS-020235, BRN 0636498, ZINC00388409, LS-38620, TL8001873, 4-14-00-01095 (Beilstein Handbook Reference), InChI=1/C7H6N2/c8-5-6-2-1-3-7(9)4-6/h1-4H,9H

Molecular Formula: C7H6N2Molecular Weight: 118.135940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: NJXPYZHXZZCTNI-UHFFFAOYSA-N

• 2-Chloro-5-iodobenzoic acid
IUPAC Name: 2-chloro-5-iodobenzoic acid | CAS Registry Number: 19094-56-5
Synonyms: SBB064075, AG-E-39416, PubChem3649, AC1LASRN, ACMC-209eug, SureCN305505, KSC174I1H, 2-Chloro-5-iodo-benzoic acid, 5-Iodo-2-chlorobenzoic acid;, 631736_ALDRICH, Jsp003921, Benzoicacid, 2-chloro-5-iodo-, CTK0H4413, MolPort-000-153-152, ACT07777, BUTTPARK 100\01-43, ANW-23510, STL377354, AKOS002341055, AC-3935

Molecular Formula: C7H4ClIO2Molecular Weight: 282.462930 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: GEBYSTBEDVQOTK-UHFFFAOYSA-N

• 3,5-Difluorobenzoic Acid
IUPAC Name: 3,5-difluorobenzoic acid | CAS Registry Number: 455-40-3
Synonyms: 3,5-Difluorobenzoic acid, Benzoic acid, 3,5-difluoro-, 290181_ALDRICH, NSC403726, JRD-0027, CID101265, SBB006663, TL8003166, InChI=1/C7H4F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11

Molecular Formula: C7H4F2O2Molecular Weight: 158.102266 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: GONAVIHGXFBTOZ-UHFFFAOYSA-N

• 4-Fluoro-2-methoxyphenol
IUPAC Name: 4-fluoro-2-methoxyphenol | CAS Registry Number: 450-93-1
Synonyms: 4-Fluoroguaiacol, Ambap2164, Phenol, 4-fluoro-2-methoxy-, 528943_ALDRICH, JRD-1134, ZINC00403476

Molecular Formula: C7H7FO2Molecular Weight: 142.127683 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OULGLTLTWBZBLO-UHFFFAOYSA-N

• 2-Iodoacetamide
IUPAC Name: 2-iodoacetamide | CAS Registry Number: 144-48-9
Synonyms: iodoacetamide, Surauto, Monoiodoacetamide, iodoacetoamide, ACETAMIDE, 2-IODO-, alpha-Iodoacetamide, sJYHCaVIKTp@, USAF D-1, .alpha.-Iodoacetamide, nchembio.146-comp6, CCRIS 7710, Lopac-I-1149, C2H4INO, WLN: ZV1I, Acetamide, iodo- (6CI), Lopac0_000570, A3221_SIGMA, I1149_SIGMA, I6125_SIGMA, NSC 9581

Molecular Formula: C2H4INOMolecular Weight: 184.963730 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: PGLTVOMIXTUURA-UHFFFAOYSA-N

• 5-Bromo-2-chlorobenzonitrile
IUPAC Name: 5-bromo-2-chlorobenzonitrile | CAS Registry Number: 57381-44-9
Synonyms: 5-bromo-2-chlorobenzonitrile, SBB064462, AG-G-02405, PubChem4695, ACMC-209lxv, SureCN559815, KSC606O6L, Benzonitrile,5-bromo-2-chloro-, CTK5A6765, 1-Bromo-4-chloro-3-cyanobenzene, MolPort-001-768-735, 5-bromo-2-chlorobenzenecarbonitrile, ACT00661, 5-bromo-2-chlorobenzenecarbonitrile;, ANW-32705, WT1792, ZINC02567826, AKOS012323309, AC-4025, AS01617

Molecular Formula: C7H3BrClNMolecular Weight: 216.462420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NKDMQBUJOXQVEA-UHFFFAOYSA-N

• 2,4-Difluoroanisole
IUPAC Name: 2,4-difluoro-1-methoxybenzene | CAS Registry Number: 452-10-8
Synonyms: Ambap1667, 2,4-Difluoro-1-methoxybenzene, ZINC02539389, CID136293, TL8003135, InChI=1/C7H6F2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H

Molecular Formula: C7H6F2OMolecular Weight: 144.118746 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: CRMJLJFDPNJIQA-UHFFFAOYSA-N

• 5-Chloro-1,3-dimethoxybenzene
IUPAC Name: 1-chloro-3,5-dimethoxybenzene | CAS Registry Number: 7051-16-3
Synonyms: 1-Chloro-3,5-dimethoxybenzene, 3,5-Dimethoxychlorobenzene, WLN: GR CO1 EO1, 5-Chlororesorcinol dimethyl ether, Benzene, 1-chloro-3,5-dimethoxy-, 209252_ALDRICH, EINECS 230-330-2, NSC220095, NSC 220095, CID81502, BRN 2327304, ZINC00407003, LS-29472, ST5406409, 4-06-00-05684 (Beilstein Handbook Reference)

Molecular Formula: C8H9ClO2Molecular Weight: 172.608860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WQHNWJBSROXROL-UHFFFAOYSA-N

• 2'-Bromoacetophenone
IUPAC Name: 1-(2-bromophenyl)ethanone | CAS Registry Number: 2142-69-0
Synonyms: o-Bromoacetophenone, Acetophenone, 2'-bromo-, Acetophenone, o-bromo-, 1-Acetyl-2-bromobenzene, Ethanone, 1-(2-bromophenyl)-, 183695_ALDRICH, AIDS017952, AIDS-017952, EINECS 218-398-1, NSC155380, ZINC00572837, ST5214447, TL8001778

Molecular Formula: C8H7BrOMolecular Weight: 199.044580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: PIMNFNXBTGPCIL-UHFFFAOYSA-N

• 2-(2-Hydroxyethoxy)Phenol
IUPAC Name: 2-(2-hydroxyethoxy)phenol | CAS Registry Number: 4792-78-3
Synonyms: 2-(2-Hydroxyethoxy)phenol, o-(Hydroxyethoxy)phenol, 2-(beta-Hydroxyethoxy)phenol, 232858_ALDRICH, Phenol, 2-(2-hydroxyethoxy)-, ZINC02024478, CID78519, EINECS 225-346-1, Catechol, mono(beta-hydroxyethyl)ether, FR-2213, BBV-2064104, Pyrocatechol mono-(2-hydroxy ethyl)-ether

Molecular Formula: C8H10O3Molecular Weight: 154.163200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: AMCOCUDBDKVWRZ-UHFFFAOYSA-N

• 3,5-Dimethoxyphenol
IUPAC Name: 3,5-dimethoxyphenol | CAS Registry Number: 500-99-2
Synonyms: Taxicatigenin, Phloroglucinol dimethyl ether, Phenol, 3,5-dimethoxy-, 1-Hydroxy-3,5-dimethoxybenzene, 3,5-DIMETHYOXYPHENOL, 132632_ALDRICH, 38773_FLUKA, CID10383, CPD-9499, NSC70955, EINECS 207-917-7, NSC 70955, ZINC00388212, Phenol, 3,5-dimethoxy- (8CI)(9CI), ST5331800, InChI=1/C8H10O3/c1-10-7-3-6(9)4-8(5-7)11-2/h3-5,9H,1-2H

Molecular Formula: C8H10O3Molecular Weight: 154.163200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: XQDNFAMOIPNVES-UHFFFAOYSA-N

• 4-Fluorophenol
IUPAC Name: 4-fluorophenol | CAS Registry Number: 371-41-5
Synonyms: 4-FLUOROPHENOL, Phenol, p-fluoro-, p-Fluorophenol, Phenol, 4-fluoro-, CCRIS 665, F13207_ALDRICH, EINECS 206-736-0, NSC 10295, NSC10295, BRN 1362752, ZINC00164463, TL806436, LS-104664, ST5214377, C16485, 4-06-00-00773 (Beilstein Handbook Reference), FPN

Molecular Formula: C6H5FOMolecular Weight: 112.101703 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RHMPLDJJXGPMEX-UHFFFAOYSA-N

• 2-Bromo-5-methoxybenzoic acid
IUPAC Name: 2-bromo-5-methoxybenzoic acid | CAS Registry Number: 22921-68-2
Synonyms: 384003_ALDRICH, EINECS 245-329-2, ST5319658, TL8001916, InChI=1/C8H7BrO3/c1-12-5-2-3-7(9)6(4-5)8(10)11/h2-4H,1H3,(H,10,11

Molecular Formula: C8H7BrO3Molecular Weight: 231.043380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ODHJOROUCITYNF-UHFFFAOYSA-N

• 2-Bromophenetole
IUPAC Name: 1-bromo-2-ethoxybenzene | CAS Registry Number: 583-19-7
Synonyms: o-Bromophenetole, Benzene, 1-bromo-2-ethoxy-, NSC8054, CID68500, EINECS 209-501-0, ZINC01586377, BBV-070489, AI3-01058

Molecular Formula: C8H9BrOMolecular Weight: 201.060460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JVEQWIQHHWNMQX-UHFFFAOYSA-N

• 2,6-Difluoroanisole
IUPAC Name: 1,3-difluoro-2-methoxybenzene | CAS Registry Number: 437-82-1
Synonyms: 2,6- Difluoroanisole, ZINC02512335, JRD-0818, CID2736897, TL8003065

Molecular Formula: C7H6F2OMolecular Weight: 144.118746 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: IOBWAHRFIPQEQL-UHFFFAOYSA-N

• 5-Bromoindole
IUPAC Name: 5-bromo-1H-indole | CAS Registry Number: 10075-50-0
Synonyms: 5-BROMOINDOLE, 1H-Indole, 5-bromo-, Maybridge1_006195, NCIOpen2_000472, B68607_ALDRICH, NSC75581, 1H-Indole, 5-bromo- (9CI), CID24905, EINECS 233-208-7, NSC 75581, ZINC00081120, B2310G25, ST5330596, TL80073616, B-8420, B-8424, SR-01000632498-1, InChI=1/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10

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

InChIKey: VXWVFZFZYXOBTA-UHFFFAOYSA-N

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

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

InChIKey: WBUOVKBZJOIOAE-UHFFFAOYSA-N

• 2-Bromo-4-Chloroanisole
IUPAC Name: 2-bromo-4-chloro-1-methoxybenzene | CAS Registry Number: 60633-25-2
Synonyms: 2-Bromo-4-chloroanisole, 2-Bromo-4-chloro-1-methoxybenzene, CID521935, ZINC02568088, ST5405639, TL8006914

Molecular Formula: C7H6BrClOMolecular Weight: 221.478940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YJEMGEBDXDPBSP-UHFFFAOYSA-N

• 5-Sulfosalicylic Acid Sodium Salt
IUPAC Name: 2-hydroxy-5-sulfobenzoic acid | CAS Registry Number: 831-54-9
Synonyms: Salicylsulfonic acid, 5-Sulphosalicylic acid, SULFOSALICYLIC ACID, 5-Sulfosalicylic acid, 5-Sulfosalicylate, Salicylic acid, sulfo-, Sulphosalicylic acid, Kalcolor anodizing acid, Salicylic acid, 5-sulfo-, Benzoic acid, 2-hydroxysulfo-, Sulfosalicylic acid (VAN), Salicylsulfonic acid (VAN), Sulphosalicylic acid (VAN), 2-Hydroxy-5-sulfobenzoic acid, WLN: WSQR DQ CVQ, Benzoic acid, 2-hydroxy-5-sulfo-, 2-Hydroxybenzoic-5-sulfonic acid, EINECS 202-555-6, 3-Carboxy-4-hydroxybenzenesulfonic acid, NSC4741

Molecular Formula: C7H6O6SMolecular Weight: 218.183940 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: YCPXWRQRBFJBPZ-UHFFFAOYSA-N

• 5-Sulfosalicylic Acid
IUPAC Name: 2-hydroxy-5-sulfobenzoic acid | CAS Registry Number: 97-05-2
Synonyms: Salicylsulfonic acid, 5-Sulphosalicylic acid, SULFOSALICYLIC ACID, 5-Sulfosalicylic acid, 5-Sulfosalicylate, Salicylic acid, sulfo-, Sulphosalicylic acid, Kalcolor anodizing acid, Salicylic acid, 5-sulfo-, Benzoic acid, 2-hydroxysulfo-, Sulfosalicylic acid (VAN), Salicylsulfonic acid (VAN), Sulphosalicylic acid (VAN), 2-Hydroxy-5-sulfobenzoic acid, WLN: WSQR DQ CVQ, Benzoic acid, 2-hydroxy-5-sulfo-, 2-Hydroxybenzoic-5-sulfonic acid, EINECS 202-555-6, 3-Carboxy-4-hydroxybenzenesulfonic acid, NSC4741

Molecular Formula: C7H6O6SMolecular Weight: 218.183940 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 6

InChIKey: YCPXWRQRBFJBPZ-UHFFFAOYSA-N

• 4-Bromo-3-methylbenzonitrile
IUPAC Name: 4-bromo-3-methylbenzonitrile | CAS Registry Number: 41963-20-6
Synonyms: 566365_ALDRICH, ZINC04218223, CID2737494, FS000053, ST5408669

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

InChIKey: SKXUZFJOLNNWIG-UHFFFAOYSA-N

• 1,2,3-Tribromopropane
IUPAC Name: 1,2,3-tribromopropane | CAS Registry Number: 96-11-7
Synonyms: s-Tribromopropane, sym-Tribromopropane, Glycerol tribromohydrin, Glyceryl tribromohydrin, 1,2,3-TRIBROMOPROPANE, Propane, 1,2,3-tribromo-, CCRIS 6706, NCIOpen2_004459, 148474_ALDRICH, CHEBI:18859, EINECS 202-478-8, NSC 78932, NSC78932, BRN 1732082, c0622, AI3-18135, LS-121073, ST5409751, 4-01-00-00221 (Beilstein Handbook Reference), InChI=1/C3H5Br3/c4-1-3(6)2-5/h3H,1-2H

Molecular Formula: C3H5Br3Molecular Weight: 280.783800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FHCLGDLYRUPKAM-UHFFFAOYSA-N

• 2,6-Difluorobenzoic Acid
IUPAC Name: 2,6-difluorobenzoic acid | CAS Registry Number: 385-00-2
Synonyms: 2,6-DIFLUOROBENZOIC ACID, Benzoic acid, 2,6-difluoro-, 190039_ALDRICH, EINECS 206-856-3, CID9796, NSC126584, NSC 126584, BRN 0973774, AI3-63060, LS-36968, TL806244, ST5213952, Y16031, 3-09-00-01330 (Beilstein Handbook Reference), InChI=1/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11

Molecular Formula: C7H4F2O2Molecular Weight: 158.102266 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: ONOTYLMNTZNAQZ-UHFFFAOYSA-N

• 1-(Cyanoethyl)-Ethylmethylimidazole
• 2-Chloro-5-methylphenol
IUPAC Name: 2-chloro-5-methylphenol | CAS Registry Number: 615-74-7
Synonyms: 6-Chloro-m-cresol, m-Cresol, 6-chloro-, Phenol, 2-chloro-5-methyl-, 3-Methyl-6-chlorophenol, 5-Methyl-2-chlorophenol, 6-Chloro-3-methylphenol, CHLORO-M-CRESOL, Ambap5773, 4-Chloro-3-hydroxytoluene, 2-CHLORO-5-METHYLPHENOL, 2-CHLOROMETHYLPHENOL, Chloro-m-cresol, all isomers, HSDB 7107, 159557_ALDRICH, Chloro-m-toluidine, all isomers, 3-Methylphenol monochloro deriv., EINECS 210-444-9, BRN 2041487, ZINC00388375, Phenol, 3-methyl-, monochloro deriv.

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

InChIKey: SMFHPCZZAAMJJO-UHFFFAOYSA-N

• 2-Bromo Phenol
IUPAC Name: 2-bromophenol | CAS Registry Number: 95-56-7
Synonyms: o-Bromophenol, 2-BROMOPHENOL, Phenol, 2-bromo-, Phenol, o-bromo-, BROMOPHENOL, Phenol, bromo-, o-bromo-phenol, 2-Bromfenol, 2-Bromfenol [Czech], WLN: QR BE, 130915_ALDRICH, 36942_RIEDEL, NSC 6970, 17990_FLUKA, EINECS 202-432-7, EINECS 251-200-1, NSC6970, BRN 1905115, ZINC00388200, DB04586

Molecular Formula: C6H5BrOMolecular Weight: 173.007300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VADKRMSMGWJZCF-UHFFFAOYSA-N

• 2,4,6-Trinitrobenzaldehyde
IUPAC Name: 2,4,6-trinitrobenzaldehyde | CAS Registry Number: 606-34-8
Synonyms: TNBAL, Benzaldehyde, 2,4,6-trinitro-, ZERO/001256, CID69074, NSC89301, EINECS 210-114-4, NSC 89301

Molecular Formula: C7H3N3O7Molecular Weight: 241.114620 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: HWFUMAYINFTNSZ-UHFFFAOYSA-N

• 1,2-Dibromoethane
IUPAC Name: 1,2-dibromoethane | CAS Registry Number: 106-93-4
Synonyms: Ethylene bromide, sym-Dibromoethane, Aadibroom, Bromofume, Sanhyuum, Soilbrom, Soilfume, Celmide, Edabrom, Kopfume, Unifume, Nephis, Nefis, ETHYLENE DIBROMIDE, Glycol Dibromide, Iscobrome D, Fumo-gas, Dibromoethylene, Pestmaster, dibromoet hane

Molecular Formula: C2H4Br2Molecular Weight: 187.861160 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: PAAZPARNPHGIKF-UHFFFAOYSA-N

• 4-Chloro-2-iodoaniline
IUPAC Name: 4-chloro-2-iodoaniline | CAS Registry Number: 63069-48-7
Synonyms: 516139_ALDRICH, EINECS 263-839-3, ZINC00403360

Molecular Formula: C6H5ClINMolecular Weight: 253.468070 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: FLEJOBRWKBPUOX-UHFFFAOYSA-N

• 3,4-Difluoroaniline
IUPAC Name: 3,4-difluoroaniline | CAS Registry Number: 3863-11-4
Synonyms: 3,4-Difluorobenzenamine, Benzenamine, 3,4-difluoro-, Aniline, 3,4-difluoro-, 270237_ALDRICH, NSC10296, 36883_FLUKA, EINECS 223-381-7, Aniline, 3,4-difluoro- (6CI), CID77469, BRN 0971235, SBB007915, ZINC00388528, FR-0575, LS-28261, TL8000010, 4-12-00-01113 (Beilstein Handbook Reference)

Molecular Formula: C6H5F2NMolecular Weight: 129.107406 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: AXNUZKSSQHTNPZ-UHFFFAOYSA-N

• 3,4-Difluorobenzoic Acid
IUPAC Name: 3,4-difluorobenzoic acid | CAS Registry Number: 455-86-7
Synonyms: 3,4-Difluorobenzoic acid, Benzoic acid, 3,4-difluoro-, 264318_ALDRICH, NSC190686, CID99166, JRD-0041, EINECS 207-249-6, SBB006721, TL8003167, InChI=1/C7H4F2O2/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3H,(H,10,11

Molecular Formula: C7H4F2O2Molecular Weight: 158.102266 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: FPENCTDAQQQKNY-UHFFFAOYSA-N

• 1,3-Diaminopropane
IUPAC Name: propane-1,3-diamine | CAS Registry Number: 109-76-2
Synonyms: 1,3-Propanediamine, 1,3-diaminopropane, Trimethylenediamine, Propane-1,3-diamine, Propandiamine, TMEDA, 1,3-Propylenediamine, alpha,omega-Propanediamine, Spectrum_001150, SpecPlus_000418, Spectrum4_001903, Spectrum5_000586, WLN: Z3Z, CCRIS 4054, D23602_ALDRICH, KBioGR_002492, KBioSS_001630, DivK1c_006514, CID428, NSC 8154

Molecular Formula: C3H10N2Molecular Weight: 74.124900 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: XFNJVJPLKCPIBV-UHFFFAOYSA-N

• 2-fluoro-4-iodobenzonitrile
IUPAC Name: 2-fluoro-4-iodobenzonitrile | CAS Registry Number: 137553-42-5
Synonyms: 3-Fluoro-4-cyano-1-iodobenzene, 2-fluoro-4-iodobenzenecarbonitrile, SBB063610, AG-D-76295, ZINC02243113, PubChem4778, ACMC-209xcp, AC1MCOK8, SureCN171635, KSC493I5T, Benzonitrile,2-fluoro-4-iodo-, Benzonitrile, 2-fluoro-4-iodo-, CTK3J3459, MolPort-001-773-247, 3-Fluoro-4-cyano-1-iodobenzene;, ACT00553, ANW-47495, AKOS015853422, AC-4072, AM61315

Molecular Formula: C7H3FINMolecular Weight: 247.008293 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WHQVXHBSTRFRCE-UHFFFAOYSA-N

• 3-Iodobenzonitrile
IUPAC Name: 3-iodobenzonitrile | CAS Registry Number: 69113-59-3
Synonyms: Ambap5126, 529036_ALDRICH, ZINC00403478, CID144341

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

InChIKey: BGARPMGQRREXLN-UHFFFAOYSA-N

• 1-Methoxyoctane
IUPAC Name: 1-methoxyoctane | CAS Registry Number: 929-56-6
Synonyms: Octyl methyl ether, Octane, 1-methoxy-, n-Octyl methyl ether, LTBB003248, CID70247, EINECS 213-201-5, BOG, C8E

Molecular Formula: C9H20OMolecular Weight: 144.254500 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: RIAWWRJHTAZJSU-UHFFFAOYSA-N


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