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Indofine Chemical Company, Inc.

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Profile: Indofine Chemical Company, Inc. is a provider of rare organic molecules, biochemicals and natural products. Our product line includes bulk fine chemicals, reagent & fluoro-organic chemicals, carbohydrates, flavors, rare organics, amino acids and pharmaceutical intermediates. We also provide chemical libraries, analytical standards, natural products, rare organics and biochemicals for life science research. Our research chemical products include flavonoids, coumarins, chalcones, chromones, acetophenones, benzophenones, amino acids, biologically active peptides, enzyme substrates, fluoro organics and heterocyclic compounds.

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• Vinburnine
Synonyms: eburnamonine, Vincamone, Eburnal, (-)-Eburnamonine, Eburnal ritardo, l-Eburnamonine, cis-Vincamone, Vinburnina, Vinburninum, Vincamona, Eburnamonine (-), Vincamona [Spanish], (-)-Eburnamonina, Vinburnine [INN], Prestwick_189, Eburnamonine (-)-form, Vinburninum [INN-Latin], Spectrum_000379, Vinburnina [INN-Spanish], Prestwick0_000607

Molecular Formula: C19H22N2OMolecular Weight: 294.390780 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: WYJAPUKIYAZSEM-MOPGFXCFSA-N

• Z-Lys(Boc)-OH
IUPAC Name: (4S)-4-(phenylmethyl)-1,3-oxazolidin-2-one | CAS Registry Number: 90719-32-7
Synonyms: (S)-4-Benzyl-2-oxazolidinone, 294640_ALDRICH, 13616_FLUKA, CID736225, ZINC00156419, ZINC04284392, SB 02020, TL8005821, InChI=1/C10H11NO2/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8/h1-5,9H,6-7H2,(H,11,12

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

InChIKey: OJOFMLDBXPDXLQ-VIFPVBQESA-N

• 1 4-Difluorobenzene
IUPAC Name: 1,4-difluorobenzene | CAS Registry Number: 540-36-3
Synonyms: p-Difluorobenzene, Benzene, p-difluoro-, para-Difluorobenzene, 1,4-DIFLUOROBENZENE, Benzene, 1,4-difluoro-, 1,4-Difluorbenzol, 1,4-Difluoro-benzene, WLN: FR DF, D102202_ALDRICH, 442249_SUPELCO, 36910_FLUKA, CHEBI:38585, EINECS 208-742-9, NSC 10286, Benzene, 1,4-difluoro- (9CI), JRD-0119, NSC10286, ZINC00164664, LS-29836, SB 01462

Molecular Formula: C6H4F2Molecular Weight: 114.092766 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: QUGUFLJIAFISSW-UHFFFAOYSA-N

• (-)-Isopulegol
IUPAC Name: 5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol | CAS Registry Number: 89-79-2
Synonyms: Isopulegol, Neo-isopulegol, l-Isopulegol, iso-Pulegol, Neoisopulegol, Isopregol, Neoisoisopulegol, p-Menth-8-en-3-ol, (-)-L-Isopulegol, Isopulegol (natural), 8(9)-p-Menthen-3-ol, p-8(9)-Menthen-3-ol, FEMA No. 2962, 2-Isopropenyl-5-methylcyclohexanol, Epi-isopulegol (methyl axial), 1-Methyl-4-isopropenylcyclohexan-3-ol, EINECS 201-940-6, EINECS 232-102-8, Cyclohexanol, 5-methyl-2-(1-methylethenyl)-, NSC 231369

Molecular Formula: C10H18OMolecular Weight: 154.249320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZYTMANIQRDEHIO-UHFFFAOYSA-N

• (S)-(+)-Carvone
IUPAC Name: (5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-one | CAS Registry Number: 2244-16-8
Synonyms: d-Carvone, Carvol, (+)-Carvone, CARVONE, (S)-Carvone, (+)-(S)-Carvone, D(+)-Carvone, d-Carvone (natural), ()-Carvone, (4S)-carvone, Carvone, (+)-, D-(+)-Carvone, carvone, (S)-isomer, (+)-(4S)-carvone, (S)-()-Carvone, CCRIS 2385, p-Mentha-6,8-dien-2-one, W224928_ALDRICH, (S)-(+)-p-Mentha-6,8-dien-2-one, 435759_ALDRICH

Molecular Formula: C10H14OMolecular Weight: 150.217560 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ULDHMXUKGWMISQ-VIFPVBQESA-N

• 1,4-diacrylylpiperazine
IUPAC Name: 1-(4-prop-2-enoylpiperazin-1-yl)prop-2-en-1-one | CAS Registry Number: 6342-17-2
Synonyms: Diacrylylpiperazine, Piperazine diacrylamide, 1,4-Di(acryloyl)piperazine, 1,4-Bis(acryloyl)piperazine, D1538_SIGMA, N,N'-Bis(acryloyl)piperazine, 542350_ALDRICH, IFLab1_003395, NSC49404, CID193422, NSC133364, ZINC01681330, Piperazine, 1,4-bis(1-oxo-2-propenyl)-, LS-123956, T0504-4993, BaP, PdA

Molecular Formula: C10H14N2O2Molecular Weight: 194.230360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: YERHJBPPDGHCRJ-UHFFFAOYSA-N

• 1-(Chloro-1-pyrrolidinylmethylene)pyrrolidiniumhexafluorophosphate
IUPAC Name: 1-[chloro(pyrrolidin-1-ium-1-ylidene)methyl]pyrrolidine;hexafluorophosphate | CAS Registry Number: 135540-11-3
Synonyms: PyClU, 1-(Chloro-1-pyrrolidinylmethylene)pyrrolidinium Hexafluorophosphate, Chlorodipyrrolidinocarbenium hexafluorophosphate, PYCIU, Chlorodipyrrolidinocarbenium hexafluorophosphate, Chloro-N,N,N',N'-bis(tetramethylene)formamidinium hexafluorophosphate, N,N,N',N'-Bis(tetramethylene)chloroformamidinium hexafluorophosphate, ACMC-209c3q, 23955_ALDRICH, AC1MC626, 23955_FLUKA, MolPort-001-771-211, ANW-19956, AKOS015901338, AM83857, RL01597, AK-41346, KB-48860, AB1011418, ST51054067, A15206

Molecular Formula: C9H16ClF6N2PMolecular Weight: 332.653921 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 7

InChIKey: NHEGCUSBUWGOQM-UHFFFAOYSA-N

• (4-Fluorophenylthio)Acetone
IUPAC Name: 1-(4-fluorophenyl)sulfanylpropan-2-one | CAS Registry Number: 2968-13-0
Synonyms: ZINC00157348, CID2737496, BBV-27093764

Molecular Formula: C9H9FOSMolecular Weight: 184.230563 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: MKJQBSVPZYELIJ-UHFFFAOYSA-N

• (S)-Perillyl Alcohol
IUPAC Name: [(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methanol | CAS Registry Number: 18457-55-1
Synonyms: Perilla alcohol, Perillol, Perillic alcohol, (-)-Perillyl alcohol, PERILLYL ALCOHOL, (-)-Perillylalcohol, p-Mentha-1,8-dien-7-ol, (S)-(-)-Perillyl alcohol, bmse000559, p-Mentha-1,8-diene-7-ol, W266418_ALDRICH, (S)-p-Mentha-1,8-dien-7-ol, 218391_ALDRICH, 77311_FLUKA, CHEBI:10782, 4-Isopropenylcyclohex-1-en-1-ylmethanol, CID369312, NSC641066, ZINC03861538, (S)-4-Isopropenyl-1-cyclohexenylmethanol

Molecular Formula: C10H16OMolecular Weight: 152.233440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NDTYTMIUWGWIMO-SNVBAGLBSA-N

• 1-(2,4-Difluorophenyl)piperazine
IUPAC Name: 1-(2,4-difluorophenyl)piperazine | CAS Registry Number: 115761-79-0
Synonyms: 1-(2,4-Difluorophenyl)-piperazine, SBB016948

Molecular Formula: C10H12F2N2Molecular Weight: 198.212486 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: CMCSPBOWEYUGHB-UHFFFAOYSA-N

• (-)-Menthol
IUPAC Name: (1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-ol | CAS Registry Number: 2216-51-5
Synonyms: l-Menthol, (-)-menthol, Levomenthol, Hexahydrothymol, Menthacamphor, Menthomenthol, l-(-)-Menthol, Racementhol, MENTHOL, Menthol natural, Menthol racemic, Racemic menthol, Peppermint camphor, rac-Menthol, dl-Menthol, U.S.P. Menthol, Menthol, l-, p-Menthan-3-ol, Headache crystals, d,l-Menthol

Molecular Formula: C10H20OMolecular Weight: 156.265200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NOOLISFMXDJSKH-KXUCPTDWSA-N

• 1,3,5-Trifluoro Benzene
IUPAC Name: 1,3,5-trifluorobenzene | CAS Registry Number: 372-38-3
Synonyms: sym-Trifluorobenzene, 1,3,5-TRIFLUOROBENZENE, Benzene, 1,3,5-trifluoro-, 1,3,5-Trifluoro-benzene, 196851_ALDRICH, CID9745, 1,3,5-TRIFLUORO BENZENE, JRD-0247, NSC10264, EINECS 206-751-2, ZINC00164868, SB 01896, TL8002744, 3S210982

Molecular Formula: C6H3F3Molecular Weight: 132.083230 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: JXUKFFRPLNTYIV-UHFFFAOYSA-N

• 1,3-Dichloroacetone
IUPAC Name: 1,3-dichloropropan-2-one | CAS Registry Number: 534-07-6
Synonyms: s-Dichloroacetone, sym-Dichloroacetone, 1,3-Dichloropropanone, sGQDLHbqBRwSP@, Bis(chloromethyl) ketone, 2-Propanone, 1,3-dichloro-, Bis(chloromethyl)ketone, 1,3-Dichloro-2-propanone, Acetone, 1,3-dichloro, Ambap2889, BISCHLOROMETHYL KETONE, .alpha.,.alpha.'-Dichloroacetone, CCRIS 1942, 1,3-Dichloroacetona [Spanish], 1,3-Dichloroacetone solution, Dichloro-1,3 acetone [French], HSDB 6391, 168548_ALDRICH, NSC 8745, .alpha.,.gamma.-Dichloroacetone

Molecular Formula: C3H4Cl2OMolecular Weight: 126.969260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: SUNMBRGCANLOEG-UHFFFAOYSA-N

• 3-Cyclopentapyrazolecarboxylic acid, 1,4,5,6-tetrahydro-
IUPAC Name: 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid | CAS Registry Number: 5932-32-1
Synonyms: 1,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid, 1,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid, 1H,4H,5H,6H-Cyclopenta[C]Pyrazole-3-Carboxylic Acid, 3-cyclopentapyrazolecarboxylic acid, 1,4,5,6-tetrahydro-, 884497-47-6, 2,4,5,6-Tetrahydro-cyclopentapyrazole-3-carboxylic acid, 2,4,5,6-tetrahydrocyclopenta[c]pyrazole-3-carboxylic acid, AC1LFDON, BAS 01402336, ChemDiv3_014408, AC1Q5UH4, SureCN1663622, Oprea1_415453, AC1Q748C, AC1Q748D, CHEMBL128604, STOCK1S-83984, CTK1G9218, CTK3E6738, CHEBI:312437

Molecular Formula: C7H8N2O2Molecular Weight: 152.150620 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: FCYBBDFUBSEGMX-UHFFFAOYSA-N

• 1,2-Dichloro-3,3,3-trifluoro-2-(trifluoromethyl)propane
IUPAC Name: 2-chloro-2-(chloromethyl)-1,1,1,3,3,3-hexafluoropropane | CAS Registry Number: 138690-25-2
Synonyms: 2-chloro-2-(chloromethyl)-1,1,1,3,3,3-hexafluoropropane, Propane,2-chloro-2-(chloromethyl)-1,1,1,3,3,3-hexafluoro-, AC1MCNUA, Dichlorohexafluoroisobutane, ACMC-1BX6G, CTK4C1360, MolPort-001-777-753, ANW-55700, PC8346, SBB098337, AKOS015850576, AG-D-78178, AK-58908, KB-149193, FT-0606377, A807419, I14-28745, 2,3-dichloro-1,1,1-trifluoro-2-(trifluoromethyl)propane, 2-chloranyl-2-(chloromethyl)-1,1,1,3,3,3-hexakis(fluoranyl)propane, DICHLOROHEXAFLUOROISOBUTANE;1,2-DICHLORO-3,3,3-TRIFLUORO-2-(TRIFLUOROMETHYL)PROPANE;1,2-Dichloro-3,3,3-trifluoro-2-(trifluoromethyl)propane 97%;1,2-Dichloro-3,3,3-trifluoro-2-(trifluoromethyl)propane97%

Molecular Formula: C4H2Cl2F6Molecular Weight: 234.955099 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: BDDXNQXIECRUSQ-UHFFFAOYSA-N

• 1,4-Dimethyl-1H-indazole-5-boronic acid
IUPAC Name: (1,4-dimethylindazol-5-yl)boronic acid

Molecular Formula: C9H11BN2O2Molecular Weight: 190.006840 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: ATHVOUQWKYPARY-UHFFFAOYSA-N

• (+)-Dihydrocarveol
IUPAC Name: (1S,2S,5S)-2-methyl-5-prop-1-en-2-ylcyclohexan-1-ol | CAS Registry Number: 22567-21-1
Synonyms: ()-Dihydrocarveol, (1S,2S,4S)-Dihydrocarveol, 37277_ALDRICH, 37277_FLUKA, CHEBI:50235, CID89755, EINECS 245-085-7, (1S,2S,4S)-menth-8-en-2-ol, CPD-10026, ZINC00967801, LMPR0102090038, C11413, C11416, (1S,2S,5S)-5-Isopropenyl-2-methylcyclohexanol, (1S-(1alpha,2beta,5alpha))-2-Methyl-5-(1-methylvinyl)cyclohexan-1-ol

Molecular Formula: C10H18OMolecular Weight: 154.249320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KRCZYMFUWVJCLI-GUBZILKMSA-N

• (S)-1-N-Boc-2-methylpiperazine
IUPAC Name: tert-butyl (2S)-2-methylpiperazine-1-carboxylate | CAS Registry Number: 169447-70-5
Synonyms: (S)-1-Boc-2-methylpiperazine, (S)-1-N-Boc-2-Methylpiperazine, (S)-tert-butyl 2-methylpiperazine-1-carboxylate, S-1-N-Boc-2-methylpiperazine, (S)-1-BOC-2-METHYL-PIPERAZINE, Tert-butyl (2S)-2-methylpiperazine-1-carboxylate, (S)-1-N-Boc-2-methyl piperazine, (S)-2-Methyl-piperazine-1-carboxylic acid tert-butyl ester, S-1BOCMP, SureCN102292, 1,1-Dimethylethyl (2S)-2-methyl-1-piperazinecarboxylate, KSC174I3H, CTK0H4433, MolPort-000-002-260, BH115, (S)-1-N-Boc-2-methyl-piperazine, ACN-S001794, ACN-S003870, ACT04953, ANW-74992

Molecular Formula: C10H20N2O2Molecular Weight: 200.278000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: DATRVIMZZZVHMP-QMMMGPOBSA-N

• 2-Fluorophenylglycine
IUPAC Name: (2R)-2-azaniumyl-2-(2-fluorophenyl)acetate | CAS Registry Number: 2343-27-3
Synonyms: ZINC00388690, CID6950280

Molecular Formula: C8H8FNO2Molecular Weight: 169.153023 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: CGNMJIBUVDGMIY-SSDOTTSWSA-N

• (-)-α-Pinene
IUPAC Name: (1S,5S)-4,7,7-trimethylbicyclo[3.1.1]hept-3-ene | CAS Registry Number: 7785-26-4
Synonyms: (-)-alpha-Pinene, ALPHA-PINENE (DL), (1S,5S)-pin-2-ene, (-)-(1S,5S)-alpha-pinene, CHEBI:28660, BB_NC-0755, CPD-4892, (1S,5S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, 2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-bicyclo[3.1.1]hept-2-ene, C06308, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S)-2,6,6-Trimethylbicyclo[3.1.1]hept-2-ene, Bicyclo[3.1.1]hept-2-ene, 2,6,6-trimethyl-, (1S,5S)-, InChI=1/C10H16/c1-7-4-5-8-6-9(7)10(8,2)3/h4,8-9H,5-6H2,1-3H, 80-56-8

Molecular Formula: C10H16Molecular Weight: 136.234040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: GRWFGVWFFZKLTI-IUCAKERBSA-N

• 1,4-Dimethoxynaphthalene
IUPAC Name: 1,4-dimethoxynaphthalene | CAS Registry Number: 10075-62-4
Synonyms: Naphthalene, 1,4-dimethoxy-, Maybridge1_003006, 41774_FLUKA, AIDS063691, AIDS-063691, EINECS 233-209-2, NSC221272, ZINC00141876, ST5406928

Molecular Formula: C12H12O2Molecular Weight: 188.222480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FWWRTYBQQDXLDD-UHFFFAOYSA-N

• 1,5-Dimethyl-1H-pyrazole
IUPAC Name: 1,5-dimethylpyrazole | CAS Registry Number: 694-31-5
Synonyms: 1,5-Dimethylpyrazole, Pyrazole, 1,5-dimethyl-, 1H-Pyrazole, 1,5-dimethyl-, ALBB-004433, STK312653, ZINC00967364, TL8004867, AC-907/34116052

Molecular Formula: C5H8N2Molecular Weight: 96.130420 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LSZQMSSIUQNTDX-UHFFFAOYSA-N

• 1-N-Boc-3-cyano Azetidine
IUPAC Name: tert-butyl 3-cyanoazetidine-1-carboxylate | CAS Registry Number: 142253-54-1
Synonyms: 1-Boc-3-cyanoazetidine, Tert-butyl 3-cyanoazetidine-1-carboxylate, 1-n-boc-3-cyano-azetidine, 3-CYANO-1-BOC-AZETIDINE, n-boc-3-cyanoazetidine, n-t-boc-3-cyanoazetidine, 3-Cyano-azetidine-1-carboxylic acid tert-butyl ester, 1-(n-boc)-3-cyanoazetidine, SBB056259, tert-butyl 3-cyanoazetidinecarboxylate, 1-(tert-butoxycarbonyl)-3-cyanoazetidine, azetidine-3-carbonitrile, n-boc protected, PubChem10137, SureCN28392, ACMC-1BX9A, 1-N-Boc-3-cyanoazetidine, 1-n-boc-3-cyano azetidine, KSC174I3J, Jsp002490, CTK0H4434

Molecular Formula: C9H14N2O2Molecular Weight: 182.219660 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WEFREESWPHICPL-UHFFFAOYSA-N

• 1,1,1,3,5,5,5-Heptafluoropentane-2,4-Dione
IUPAC Name: 1,1,1,3,5,5,5-heptafluoropentane-2,4-dione | CAS Registry Number: 77968-17-3
Synonyms: 1,1,1,3,5,5,5-heptafluoropentane-2,4-dione, AG-H-12760, ST51040160, 1,1,1,3,5,5,5-HEPTAFLUOROPENTAN-2,4-DIONE, 3H-Perfluoroacetylacetone, AC1MCP54, 3H-Perfluoropentane-2,4-dione, CTK5E5250, MolPort-001-775-603, SBB096905, 3H-Perfluoropentane-2,4-dione 97%, AKOS007930547, KB-09728, FT-0605925, C-5690, 1,1,1,3,5,5,5-Heptafluoro-2,4-pentanedione, 2,4-Pentanedione,1,1,1,3,5,5,5-heptafluoro-, A839301, I14-29323, 1,1,1,3,5,5,5-heptakis(fluoranyl)pentane-2,4-dione

Molecular Formula: C5HF7O2Molecular Weight: 226.049062 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 9

InChIKey: GRHYFDZMGZYXAP-UHFFFAOYSA-N

• (R)-Citronellol
IUPAC Name: (3R)-3,7-dimethyloct-6-en-1-ol | CAS Registry Number: 1117-61-9
Synonyms: beta-Citronellol, (R)-(+)-Citronellol, (+)-beta-Citronellol, (R)-(+)-beta-Citronellol, 303461_ALDRICH, STOCK1N-68491, CHEBI:10360, MolPort-002-535-711, EINECS 214-250-5, (R)-3,7-Dimethyl-6-octen-1-ol, (R)-3,7-Dimethyloct-6-en-1-ol, CID101977, ZINC01531601, (3R)-3,7-dimethyloct-6-en-1-ol, LMPR0102010008, 6-Octen-1-ol, 3,7-dimethyl-, (R)-, 6-Octen-1-ol, 3,7-dimethyl-, (3R)-, AI3-00204, 6-Octen-1-ol, 3,7-dimethyl-, (theta)-, C09849

Molecular Formula: C10H20OMolecular Weight: 156.265200 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: QMVPMAAFGQKVCJ-SNVBAGLBSA-N

• 1-Benzoyl-3,5-bis(trifluoromethyl)pyrazole
IUPAC Name: [3,5-bis(trifluoromethyl)pyrazol-1-yl]-phenylmethanone | CAS Registry Number: 134947-25-4
Synonyms: Methanone,[3,5-bis(trifluoromethyl)-1H-pyrazol-1-yl]phenyl-, ZINC02526346, ACMC-1C1FI, AC1MC4K0, CTK4B9562, MolPort-000-151-349, PC4092, AKOS007930683, AG-D-71559, KB-82353, FT-0607381, A806858, I14-36510, [3,5-bis(trifluoromethyl)-1-pyrazolyl]-phenylmethanone, [3,5-bis(trifluoromethyl)pyrazol-1-yl]-phenyl-methanone, [3,5-bis(trifluoromethyl)pyrazol-1-yl]-phenylmethanone, 1H-Pyrazole,1-benzoyl-3,5-bis(trifluoromethyl)- (9CI)

Molecular Formula: C12H6F6N2OMolecular Weight: 308.179259 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: UESSAXBXORIGDD-UHFFFAOYSA-N

• 2-Bromo-N,N-Dimethyl Benzyl Amine
IUPAC Name: 1-(2-bromophenyl)-N,N-dimethylmethanamine | CAS Registry Number: 1976-04-1
Synonyms: 2-Bromo-N,N-dimethylbenzylamine, NSC54514, NSC62161, EINECS 217-831-1, Benzenemethanamine, 2-bromo-N,N-dimethyl-

Molecular Formula: C9H12BrNMolecular Weight: 214.102280 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZPZPSZZVDFMNQS-UHFFFAOYSA-N

• 1-(4-(Trifluoromethoxy)phenyl)-2-thiourea
IUPAC Name: [4-(trifluoromethoxy)phenyl]thiourea | CAS Registry Number: 142229-74-1
Synonyms: [4-(trifluoromethoxy)phenyl]thiourea, 1-[4-(trifluoromethoxy)phenyl]-2-thiourea, SBB062016, Thiourea,N-[4-(trifluoromethoxy)phenyl]-, amino{[4-(trifluoromethoxy)phenyl]amino}methane-1-thione, ZINC00102761, AC1MCRNF, ACMC-1C270, CTK4C3002, 4-(trifluoromethoxy)phenylthiourea, MolPort-000-158-975, AC1Q5039, AKOS005202738, AG-D-83739, MCULE-6423749541, 1-[4-(trifluoromethyloxy)phenyl]thiourea, KB-82486, FT-0607144, ST50953425, EN300-28854

Molecular Formula: C8H7F3N2OSMolecular Weight: 236.214190 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: UCOXNOVULREFCO-UHFFFAOYSA-N

• (R)-1-[3,5-Bis(trifluoromethyl)phenyl]ethanol
IUPAC Name: (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol | CAS Registry Number: 127852-28-2
Synonyms: (R)-1-(3,5-Bis-trifluoromethyl-phenyl)-ethanol, (r)-1-[3,5-bis(trifluoromethyl)phenyl]ethan-1-ol, (R)-1-(3,5-Bis-trifluoromethylphenyl)ethanol, (r)-1-(3,5-bis(trifluoromethyl)phenyl)ethanol, (1R)-1-[3,5-bis(trifluoromethyl)phenyl]ethanol, AG-D-57838, (r)-1-(3,5-bis(trifluoromethyl)phenyl)ethan-1-ol, (R)-1-[3,5-BIS(TRIFLUOROMETHYL)PHENYL)ETHANOL, zlchem 1281, AC1MCULZ, KSC515O6B, 49554_ALDRICH, 49554_FLUKA, CTK4B5760, ZLE0056, MolPort-001-771-466, ANW-45499, PC0580, ZINC02382862, AKOS005063416

Molecular Formula: C10H8F6OMolecular Weight: 258.160339 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: MMSCIQKQJVBPIR-RXMQYKEDSA-N

• 3,3,3-Trifluorolactic Acid
IUPAC Name: 3,3,3-trifluoro-2-hydroxypropanoic acid | CAS Registry Number: 684-07-1
Synonyms: NSC56231, CID244896, 3S105470, 3S210858

Molecular Formula: C3H3F3O3Molecular Weight: 144.049330 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: BVKGUTLIPHZYCX-UHFFFAOYSA-N

• 1-(2-Cyanoethyl)-3-(trifluoromethyl)-2(1H)-pyridone
IUPAC Name: 3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanenitrile | CAS Registry Number: 175277-60-8
Synonyms: 1-(2-cyanoethyl)-3-(trifluoromethyl)pyridin-2(1h)-one, ST51041603, 3-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]propanenitrile, 3-(2-Oxo-3-(trifluoromethyl)pyridin-1(2H)-yl)propanenitrile, 3-[2-oxo-3-(trifluoromethyl)-1,2-dihydropyridin-1-yl]propanenitrile, 3-[2-oxo-3-(trifluoromethyl)hydropyridyl]propanenitrile, ZINC02557589, Maybridge1_008680, AC1MC67U, CTK7D0235, HMS566C12, MolPort-000-146-722, ANW-55659, SBB095219, AKOS015912297, AG-A-55226, AK-60273, KB-83166, FT-0605529, A16235

Molecular Formula: C9H7F3N2OMolecular Weight: 216.159890 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: CQBBWSPMEJVWQE-UHFFFAOYSA-N

• 1-Boc-3-trifluoromethylpyrazole-5-boronic acid
IUPAC Name: [2-[(2-methylpropan-2-yl)oxycarbonyl]-5-(trifluoromethyl)pyrazol-3-yl]boronic acid

Molecular Formula: C9H12BF3N2O4Molecular Weight: 280.008790 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 8

InChIKey: BOZJABNIBRHQGY-UHFFFAOYSA-N

• 5-BromoBenzo[b]thiophene-3-Methanamine
IUPAC Name: (5-bromo-1-benzothiophen-3-yl)methanamine;hydrochloride | CAS Registry Number: 744985-64-6
Synonyms: (5-bromobenzo[b]thiophen-3-yl)methanamine hydrochloride, (5-BROMOBENZO[B]THIOPHEN-3-YL)METHANAMINE HCL, (5-Bromo-3-benzo[b]thienyl)methylamine, CTK8B5355, ANW-48456, SC2601, AKOS015846744, RP09559, AK-28315, BR-28315, KB-02119, W8217, (5-bromo-1-benzothiophen-3-yl)methanamine hydrochloride

Molecular Formula: C9H9BrClNSMolecular Weight: 278.596460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FNRMMKSEZJLOTG-UHFFFAOYSA-N

• 1-(2-Chloro-6-fluorophenyl)but-1-en-3-one
IUPAC Name: (E)-4-(2-chloro-6-fluorophenyl)but-3-en-2-one | CAS Registry Number: 175136-82-0
Synonyms: ZINC00156562, 6H-022, But-3-en-2-one, 4-(2-chloro-6-fluorophenyl)-, (3E)-4-(2-Chloro-6-fluorophenyl)-3-buten-2-one

Molecular Formula: C10H8ClFOMolecular Weight: 198.621323 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VZRBDBXFAKDNDJ-AATRIKPKSA-N

• (-)-Epicatechin gallate
IUPAC Name: [(2R,3R)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate | CAS Registry Number: 1257-08-5
Synonyms: L-Epicatechin gallate, Epicatechol, gallate, (-)-Epicatechin-3-gallate, Spectrum_000314, SpecPlus_000275, (-)-Epicatechin-3-O-gallate, Spectrum2_000165, Spectrum3_000246, Spectrum4_001540, Spectrum5_000080, Epicatechol, gallate (6CI), BSPBio_001632, KBioGR_001980, KBioSS_000794, SPECTRUM210238, DivK1c_006371, SPBio_000029, E3893_SIAL, MEGxp0_000810, Epicatechol, 3-gallate, (-)-

Molecular Formula: C22H18O10Molecular Weight: 442.372320 [g/mol]
H-Bond Donor: 7H-Bond Acceptor: 10

InChIKey: LSHVYAFMTMFKBA-TZIWHRDSSA-N

• 1-Aminocyclopropane-1-carboxylic acid
IUPAC Name: 1-aminocyclopropane-1-carboxylic acid | CAS Registry Number: 22059-21-8
Synonyms: acpc, 1-Aminocyclopropanecarboxylic acid, Ambap1703, Spectrum_001270, SpecPlus_000710, Spectrum2_001475, Spectrum3_001515, Spectrum4_000771, Spectrum5_001755, Lopac-A-0430, Biomol-NT_000194, Cyclopropanecarboxylic acid, 1-amino-, 1-aminocyclopropane-1-carboxylate, CPD-68, Lopac0_000072, BSPBio_003189, KBioGR_001182, KBioSS_001750, 1-Amino-1-carboxycyclopropane, A3903_SIGMA

Molecular Formula: C4H7NO2Molecular Weight: 101.103880 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: PAJPWUMXBYXFCZ-UHFFFAOYSA-N

• 1,2,3,5-Tetrafluorobenzene
IUPAC Name: 1,2,3,5-tetrafluorobenzene | CAS Registry Number: 2367-82-0
Synonyms: 1,2,3,5-TETRAFLUOROBENZENE, Benzene, 1,2,3,5-tetrafluoro-, 306029_ALDRICH, EINECS 219-126-4, CID16910, T145

Molecular Formula: C6H2F4Molecular Weight: 150.073693 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: UHHYOKRQTQBKSB-UHFFFAOYSA-N

• (R)-1-(2-Fluorophenyl)ethylamine
IUPAC Name: (1R)-1-(2-fluorophenyl)ethanamine | CAS Registry Number: 185545-90-8
Synonyms: (R)-1-(2-FLUOROPHENYL)ETHYLAMINE, (R)-1-(2-fluorophenyl)ethanamine, SBB069918, AG-E-34914, AC1MCUOE, SureCN1003465, CTK4D9045, MolPort-001-771-483, (1R)-1-(2-fluorophenyl)ethanamine, (1R)-1-(2-fluorophenyl)ethylamine, AKOS010397617, AKOS015840199, (1R)-1-(2-fluorophenyl)ethan-1-amine, AK-33841, KB-02639, FT-0605111, FT-0660211, Benzenemethanamine,2-fluoro-a-methyl-, (aR)-, I14-5231, Benzenemethanamine,2-fluoro-a-methyl-, (R)-;(1R)-1-(2-Fluorophenyl)ethanamine;

Molecular Formula: C8H10FNMolecular Weight: 139.170103 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: DIWHJJUFVGEXGS-ZCFIWIBFSA-N

• 1,4-Dibromo-2,5-dimethoxybenzene
IUPAC Name: 1,4-dibromo-2,5-dimethoxybenzene | CAS Registry Number: 2674-34-2
Synonyms: Maybridge1_005131, 461105_ALDRICH, NSC27013, ZINC00057059, ST5307780, InChI=1/C8H8Br2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H

Molecular Formula: C8H8Br2O2Molecular Weight: 295.955920 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CHCLRVOURKGRSW-UHFFFAOYSA-N

• 1,1,1,3,5,6-Hexachlorooctafluorohexane
IUPAC Name: 1,1,1,3,5,6-hexachloro-2,2,3,4,4,5,6,6-octafluorohexane | CAS Registry Number: 2106-32-3
Synonyms: 1,1,1,3,5,6-hexachloro-2,2,3,4,4,5,6,6-octafluorohexane, AC1MCP6C, CTK4E5793, PC4524, AG-E-54578, FT-0605926, A815111, 1,1,1,3,5,6-hexakis(chloranyl)-2,2,3,4,4,5,6,6-octakis(fluoranyl)hexane

Molecular Formula: C6Cl6F8Molecular Weight: 436.769426 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 8

InChIKey: ZUBPFQXYAINABF-UHFFFAOYSA-N

• 1,2-Bis(2-(4,4,5,5-tetramethyl-1,3,2-dioxaborlan-2-yl)-5-(trifluoromethyl)phenyl)ethane
IUPAC Name: 4,4,5,5-tetramethyl-2-[2-[2-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5-(trifluoromethyl)phenyl]ethyl]-4-(trifluoromethyl)phenyl]-1,3,2-dioxaborolane

Molecular Formula: C28H34B2F6O4Molecular Weight: 570.179579 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 10

InChIKey: HVBFBIYWXDQMSJ-UHFFFAOYSA-N

• 2,3-Dihydro-1,4-(benzodioxin-6-yl)boronic acid
IUPAC Name: 2,3-dihydro-1,4-benzodioxin-7-ylboronic acid | CAS Registry Number: 164014-95-3
Synonyms: 1,4-Benzodioxane-6-boronic acid, 635995_ALDRICH, 1,4-Benzodioxan-6-boronic acid, BM164, ZERO/009684

Molecular Formula: C8H9BO4Molecular Weight: 179.965660 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: SQDUGGGBJXULJR-UHFFFAOYSA-N

• 1-(4-Nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid
IUPAC Name: 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid | CAS Registry Number: 142818-03-9
Synonyms: 1-(4-nitrophenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid, 1-(4-Nitrophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid, ST057509, Maybridge1_003970, AC1LEMLF, ACMC-20apa6, SureCN2077594, 659347_ALDRICH, CTK4C3324, HMS552M10, MolPort-000-157-806, SBB001236, AKOS009158218, AG-D-84781, MCULE-7646159717, KB-63999, FT-0605765, C-6257, I14-61766, 1-(4-nitrophenyl)-(5-trifluoromethyl)pyrazole-4-carboxylic acid

Molecular Formula: C11H6F3N3O4Molecular Weight: 301.178250 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 8

InChIKey: FGHNILTUXGDLKS-UHFFFAOYSA-N

• 2,2-Dimethyl-6,6,7,7,8,8,8-heptafluoro-3,5-octanedione
IUPAC Name: 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyloctane-3,5-dione | CAS Registry Number: 17587-22-3
Synonyms: 175161_ALDRICH, BB_SC-3729, EINECS 241-556-6, 1,1,1,2,2,3,3-Heptafluoro-7,7-dimethyl-4,6-octanedione, 3,5-Octanedione, 6,6,7,7,8,8,8-heptafluoro-2,2-dimethyl-, 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyl-3,5-octanedione, 6,6,7,7,8,8,8-Heptafluoro-2,2-dimethyloctane-3,5-dione, 1,1,1,2,2,3,3-HEPTAFLUORO-7,7-DIMETHYL-4,6-OCTA*

Molecular Formula: C10H11F7O2Molecular Weight: 296.181962 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 9

InChIKey: SQNZLBOJCWQLGQ-UHFFFAOYSA-N

• 1,4-Dibromo-2,5-difluorobenzene
IUPAC Name: 1,4-dibromo-2,5-difluorobenzene | CAS Registry Number: 327-51-5
Synonyms: Maybridge1_003946, 264245_ALDRICH, Benzene, 1,4-dibromo-2,5-difluoro-, EINECS 206-317-2, HAN 00002, SR-01000634842-1, InChI=1/C6H2Br2F2/c7-3-1-5(9)4(8)2-6(3)10/h1-2

Molecular Formula: C6H2Br2F2Molecular Weight: 271.884886 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: GLVMLJCMUBZVTJ-UHFFFAOYSA-N

• (+)-BORNEOL
IUPAC Name: (6S)-1,7,7-trimethylbicyclo[2.2.1]heptan-6-ol | CAS Registry Number: 464-43-7
Synonyms: Borneocamphor, Borneol, Sumatra camphor, D-Isoborneol, d-Borneol, endo-2-Bornanol, (+)-Borneol, (1R,2S,4R)-(+)-Borneol, CID439568, LMPR0102120003, C01765

Molecular Formula: C10H18OMolecular Weight: 154.249320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: DTGKSKDOIYIVQL-ZCUBBSJVSA-N

• 1-(2-Chloroethyl)-4-fluorobenzene
IUPAC Name: 1-(2-chloroethyl)-4-fluorobenzene | CAS Registry Number: 332-43-4
Synonyms: EINECS 206-364-9, CID67622

Molecular Formula: C8H8ClFMolecular Weight: 158.600523 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: LPUURRVXQCVXCX-UHFFFAOYSA-N

• 2-Chloro-3-methoxypyridine-5-boronic acid hemihydrate
IUPAC Name: (6-chloro-5-methoxypyridin-3-yl)boronic acid;hydrate

Molecular Formula: C12H16B2Cl2N2O7Molecular Weight: 392.792640 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 9

InChIKey: RFZITGUOOKSULA-UHFFFAOYSA-N

• 2-Chloro-6-fluoro-3-(methoxymethoxy)phenylboronic acid
IUPAC Name: [2-chloro-6-fluoro-3-(methoxymethoxy)phenyl]boronic acid

Molecular Formula: C8H9BClFO4Molecular Weight: 234.417063 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: HEHSNQNHNZDAGM-UHFFFAOYSA-N

• (1S)-(-)-beta-Pinene
IUPAC Name: (1S,5S)-7,7-dimethyl-4-methylidenebicyclo[3.1.1]heptane | CAS Registry Number: 18172-67-3
Synonyms: (-)-beta-Pinene, (-)-nopinene, beta-PINENE, 90% +, W290300_ALDRICH, (−)-beta-Pinene, 112089_ALDRICH, 402753_ALDRICH, (-)-(1S,5S)-beta-pinene, (-)-Pin-2(10)-ene, STOCK1N-18066, 80609_FLUKA, CHEBI:28359, (1S,5S)-2(10)-Pinene, (1S,5S)-pin-2(10)-ene, CPD-4891, LMPR01020044, ZINC01530385, (1S)-(−)-beta-Pinene, (1S,5S)-6,6-Dimethyl-2-methylenebicyclo[3.1.1]heptane, C06307

Molecular Formula: C10H16Molecular Weight: 136.234040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: WTARULDDTDQWMU-IUCAKERBSA-N


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