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HBCChem, Inc.

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Web: http://www.hbcchem-inc.com
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Address: 2819 Whipple Road, Union City, California 94587, USA
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Profile: HBCChem, Inc. specializes in fine chemicals and custom synthesis. Our fine chemicals include esmolo hydrochloride, 1-ethyl-2,3-dioxopiperazine, oxprenolol succinate, tienoxolol hydrochloride and orlistat. Our main chemical products include unnatural amino acids, hydrazine, piperazine, 5-member & 6-member heterocylic compounds, and organometallic catalysts. Pyrrolidine is found naturally in the leaves of tobacco and carrot. The pyrrolidine ring structure is present in numerous natural alkaloids such as nicotine and hygrine. It is found in many pharmaceutical drugs such as procyclidine and bepridil.

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• 2,2,2-Trifluoroethanol
IUPAC Name: 2,2,2-trifluoroethanol | CAS Registry Number: 75-89-8
Synonyms: Trifluoroethanol, Fluorinol 85, Ethanol, 2,2,2-trifluoro-, 2,2,2-TRIFLUOROETHANOL, Trifluoroethyl alcohol, 2,2,2-Trifluoroethyl alcohol, Alcohol, Trifluoroethyl, CF3CH2OH, WLN: Q1XFFF, Perfluoro-1,1-dihydroethanol, T63002_ALDRICH, NSC 451, beta,beta,beta-Trifluoroethyl alcohol, NSC451, 91683_FLUKA, 96924_FLUKA, CHEBI:42330, EINECS 200-913-6, ETHANOL,2,2,2-TRIFLUORO, 326747_SIAL

Molecular Formula: C2H3F3OMolecular Weight: 100.039830 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: RHQDFWAXVIIEBN-UHFFFAOYSA-N

• 2,4,6-Trichloroaniline
IUPAC Name: 2,4,6-trichloroaniline | CAS Registry Number: 634-93-5
Synonyms: s-Trichloroaniline, 2,4,6-TRICHLOROANILINE, sym-Trichloroaniline, Aniline, 2,4,6-trichloro-, 2,4,6-Trichlorophenylamine, Benzenamine, 2,4,6-trichloro-, 2,4,6-Trichlorobenzenamine, CCRIS 601, WLN: ZR BG DG FG, 1-Amino-2,4,6-trichlorobenzene, HSDB 2654, 35996_RIEDEL, NSC 2114, 91141_FLUKA, EINECS 211-219-8, NSC2114, 2,4,6-TCA, AIDS019003, AIDS-019003, CID12471

Molecular Formula: C6H4Cl3NMolecular Weight: 196.461660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NATVSFWWYVJTAZ-UHFFFAOYSA-N

• 2-Naphthalene Boric Acid (CAS: 32313-92-0)
• (S)-1-Methyl-3-pyrrolidinol
IUPAC Name: (3S)-1-methylpyrrolidin-3-ol | CAS Registry Number: 104641-59-0
Synonyms: (S)-(+)-1-Methyl-3-pyrrolidinol, (3S)-1-methylpyrrolidin-3-ol, (S)-(+)-1-Methyl-3-hydroxypyrrolidine, (S)-3-Hydroxy-1-methylpyrrolidine, AG-D-17108, (S)-(+)-3-Hydroxy-N-methylpyrrolidine, (S)-3-HYDROXY-1-METHYL-PYRROLIDINE, 3-Pyrrolidinol, 1-methyl-, AC1LD7DM, SureCN134941, 573337_ALDRICH, Jsp000456, (3S)-1-methyl-3-pyrrolidinol, CTK3J6025, MolPort-001-768-441, ACT05086, ANW-15090, OR4625, AKOS015850701, AC-7092

Molecular Formula: C5H11NOMolecular Weight: 101.146940 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: FLVFPAIGVBQGET-YFKPBYRVSA-N

• 2,3-Xylidine
IUPAC Name: 2,3-dimethylaniline | CAS Registry Number: 87-59-2
Synonyms: 2,3-Dimethylaniline, ortho-Xylidine, o-Xylidine, 3-Amino-o-xylene, 2,3-XYLIDINE, 2,3-Xylylamine, Benzenamine, 2,3-dimethyl-, CN-Cbl, 2,3-Dimethylbenzenamine, 2,3-Dimethylphenylamine, CCRIS 4739, Benzenamine, ar,ar-dimethyl-, HSDB 2091, 1-Amino-2,3-dimethylbenzene, D145807_ALDRICH, Benzene, 1-amino-2,3-dimethyl-, EINECS 201-755-0, BRN 0742174, ZINC03860406, LS-1866

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: VVAKEQGKZNKUSU-UHFFFAOYSA-N

• 1-Methylindazole-3-carboxylic acid
IUPAC Name: 1-methylindazole-3-carboxylic acid | CAS Registry Number: 50890-83-0
Synonyms: 637645_ALDRICH, ALBB-006391, 1-methyl-1H-indazole-3-carboxylic acid, 1-Methyl-indazole-3-carboxylic acid, CID689105, SBB000193, TL8003376, AQ-358/41297702

Molecular Formula: C9H8N2O2Molecular Weight: 176.172020 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OVVDFORZEGKEJM-UHFFFAOYSA-N

• (3R,4S)-3-(1-ethoxyethoxy)-4-phenyl-N-benzoyl-2-azetidinone
IUPAC Name: 1-benzoyl-3-(1-ethoxyethoxy)-4-phenylazetidin-2-one | CAS Registry Number: 201856-53-3
Synonyms: SureCN5887434, (3R,4S)-1-Benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone, CTK8H5014, AKOS015912344, H673, A814313, 1-benzoyl-3-(1-ethoxyethoxy)-4-phenyl-2-azetidinone, I14-35728, 3-(1-ethoxyethoxy)-4-phenyl-1-(phenylcarbonyl)azetidin-2-one, (3R,4S)-1-Benzoyl-3-[(triethylsily)oxy]-4-phenyl-2-azetidinone

Molecular Formula: C20H21NO4Molecular Weight: 339.385040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XSYLUBKWRZCOQP-UHFFFAOYSA-N

• 1,2 Hexanediol
IUPAC Name: (2S)-hexane-1,2-diol | CAS Registry Number: 6920-22-5
Synonyms: ZINC02539390, InChI=1/C6H14O2/c1-2-3-4-6(8)5-7/h6-8H,2-5H2,1H

Molecular Formula: C6H14O2Molecular Weight: 118.174160 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: FHKSXSQHXQEMOK-LURJTMIESA-N

• 1-Indanone
IUPAC Name: 2,3-dihydroinden-1-one | CAS Registry Number: 83-33-0
Synonyms: Hydrindone, INDANONE, alpha-Hydrindone, Indan-1-one, alpha-Indanone, Indacrinone, Indacrinic acid, 1-Indone, .alpha.-Indanone, Indanone (VAN), .alpha.-Hydrindone, Indenone, dihydro-, indanone, sodium salt, indanone, (R)-isomer, indanone, (S)-isomer, 1H-Inden-1-one, 2,3-dihydro-, 1-HYDRINDONE, 2,3-Dihydro-1H-inden-1-one, indanone, (+-)-isomer, I2304_ALDRICH

Molecular Formula: C9H8OMolecular Weight: 132.159220 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QNXSIUBBGPHDDE-UHFFFAOYSA-N

• 2,4-Thiazolidine Dione
IUPAC Name: 1,3-thiazolidine-2,4-dione | CAS Registry Number: 2295-31-0
Synonyms: Thiazolidinedione, 2,4-Dioxothiazolidine, 2,4-THIAZOLIDINEDIONE, 2,4(3H,5H)-Thiazoledione, Thiazolidinedione-2,4, WLN: T5SVMV EHJ, USAF EK-5496, 1,3-Thiazolidine-2,4-dione, thiazolidinedione deriv. 21, NSC6745, 375004_ALDRICH, 2,4-thiazolidinedione potassium, NSC 6745, CHEBI:50992, EINECS 218-941-2, Potassium 2,4-dioxothiazolidinate, AIDS019667, AIDS-019667, BRN 0110700, SBB000047

Molecular Formula: C3H3NO2SMolecular Weight: 117.126420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ZOBPZXTWZATXDG-UHFFFAOYSA-N

• 2,6- Dimethylmorpholine
IUPAC Name: 2,6-dimethylmorpholine | CAS Registry Number: 141-91-3
Synonyms: 2,6-Dimethylmorpholine, Morpholine, 2,6-dimethyl-, 2,6-DIMETHYL MORPHOLINE, cis-2,6-Dimethylmorpholine, 2,6-Dimethylmorfolin [Czech], CCRIS 5910, HSDB 4343, 126527_ALDRICH, EINECS 205-509-3, WLN: T6M DOTJ C1 E1, NSC 60704, Morpholine, 2,6-dimethyl-, cis-, NSC60704, BRN 0103036, EINECS 229-353-0, LS-834, 2,6-Dimethyl-2,3,5,6-tetrahydro-4H-1,4-oxazine, ST5214583, 4-27-00-00674 (Beilstein Handbook Reference), 6485-55-8

Molecular Formula: C6H13NOMolecular Weight: 115.173520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: HNVIQLPOGUDBSU-UHFFFAOYSA-N

• 2,7-dihydroxy-9-fluorenone
IUPAC Name: 2,7-dihydroxyfluoren-9-one | CAS Registry Number: 42523-29-5
Synonyms: 2,7-Dihydroxy-9-fluorenone, 2,7-dihydroxy-9H-fluoren-9-one, 2,7-Dihydroxyfluorenone, AG-F-51199, ZINC00235319, zlchem 310, ChemDivAM_000848, ChemDiv1_019145, SureCN539276, AC1N92YX, 2,7-dihydroxyfluoren-9-one, Oprea1_047542, Compound 0356-0002, KSC238A5D, CHEMBL491290, CTK1D8051, HMS641G05, ZLC0135, MolPort-001-817-967, ACT08565

Molecular Formula: C13H8O3Molecular Weight: 212.200820 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: CWHPQXRTQSNTRR-UHFFFAOYSA-N

• 2,4,6-Tribromophenol
IUPAC Name: 2,4,6-tribromophenol | CAS Registry Number: 118-79-6
Synonyms: 2,4,6-tribromophenol, Tribromophenol, Bromkal pur 3, Bromol, Xeroform, Flammex 3BP, Phenol, 2,4,6-tribromo-, 1e5a, C6H3Br3O, BISMUTH TRIBROMOPHENATE, WLN: QR BE DE FE, CCRIS 1658, TA 10, HSDB 5584, MLS002152858, 137715_ALDRICH, 36918_RIEDEL, 442304_SUPELCO, NSC 2136, 90730_FLUKA

Molecular Formula: C6H3Br3OMolecular Weight: 330.799420 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: BSWWXRFVMJHFBN-UHFFFAOYSA-N

• 2,3,5,6-Tetrafluorobenzonitrile
IUPAC Name: 2,3,5,6-tetrafluorobenzonitrile | CAS Registry Number: 5216-17-1
Synonyms: 303178_ALDRICH, NSC168722, CID297546, ZINC00155260, T153, ST5307854

Molecular Formula: C7HF4NMolecular Weight: 175.083153 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: IOQMWOBRUDNEOA-UHFFFAOYSA-N

• 1,3-Cyclohexadiene
IUPAC Name: cyclohexa-1,3-diene | CAS Registry Number: 592-57-4
Synonyms: 1,3-CYCLOHEXADIENE, Cyclohexa-1,3-diene, 1,2-dihydrobenzene, CYCLOHEXADIENE, Cyclohexadiene-1,3, C100005_ALDRICH, 28900_FLUKA, CHEBI:37610, EINECS 209-764-1, CID11605, EINECS 249-853-2, LS-56241, InChI=1/C6H8/c1-2-4-6-5-3-1/h1-4H,5-6H, 29797-09-9, 33004-09-0

Molecular Formula: C6H8Molecular Weight: 80.127720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MGNZXYYWBUKAII-UHFFFAOYSA-N

• 1-Bromobutane
IUPAC Name: 1-bromobutane | CAS Registry Number: 109-65-9
Synonyms: Butyl bromide, Butane, 1-bromo-, n-Butylbromide, Bromobutane, N-BUTYL BROMIDE, 1-Butyl bromide, Butane, bromo-, sJPHAbIJuP@, 1-BROMO-BUTANE, CCRIS 831, HSDB 2195, 08953_FLUKA, 19681_FLUKA, B59497_SIAL, EINECS 203-691-9, UN1126, AI3-15308, LS-45622, TL8000306, 1-Bromobutane [UN1126] [Flammable liquid]

Molecular Formula: C4H9BrMolecular Weight: 137.018260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MPPPKRYCTPRNTB-UHFFFAOYSA-N

• 2,4-Dichloro Acetophenone
IUPAC Name: 1-(2,4-dichlorophenyl)ethanone | CAS Registry Number: 2234-16-4
Synonyms: 2',4'-Dichloroacetophenone, p-Chloro-2-chloroacetophenone, Acetophenone, 2',4'-dichloro-, 2,4-Dichloroacetophenone, Ethanone, 1-(2,4-dichlorophenyl)-, 1-(2,4-Dichlorophenyl)ethanone, 178373_ALDRICH, EINECS 218-780-8, 1-(2,4-Dichlorophenyl)ethan-1-one, NSC 33945, NSC33945, ZINC01665976, Acetophenone, 2',4'-dichloro- (8CI), 1-(2,4-DICHLOROPHENYL) ETHANONE, LS-184920, ST5213424, InChI=1/C8H6Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-4H,1H

Molecular Formula: C8H6Cl2OMolecular Weight: 189.038640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: XMCRWEBERCXJCH-UHFFFAOYSA-N

• 2,5-Dimethoxybenzaldehyde
IUPAC Name: 2,5-dimethoxybenzaldehyde | CAS Registry Number: 93-02-7
Synonyms: Benzaldehyde, 2,5-dimethoxy-, 2,5-Dimethoxy benzaldehyde, D130605_ALDRICH, NSC6315, NSC 6315, 38630_FLUKA, EINECS 202-211-5, AIDS166646, AIDS-166646, CID66726, BRN 0509301, ZINC01693397, AI3-19307, LS-25015, TL806229, ST5213350, 4-08-00-01759 (Beilstein Handbook Reference), InChI=1/C9H10O3/c1-11-8-3-4-9(12-2)7(5-8)6-10/h3-6H,1-2H

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: AFUKNJHPZAVHGQ-UHFFFAOYSA-N

• 1,1-Cyclopropanediacetonitrile
IUPAC Name: 2-[1-(cyanomethyl)cyclopropyl]acetonitrile | CAS Registry Number: 20778-47-6
Synonyms: 2,2'-(Cyclopropane-1,1-diyl)diacetonitrile, SureCN1963806, CTK4E5077, ANW-60544, ZINC16697426, AKOS006305748, AG-E-52512, (1-Cyanomethyl-cyclopropyl)-acetonitrile, AK-90167, KB-64154, I14-13729, I14-13735

Molecular Formula: C7H8N2Molecular Weight: 120.151820 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UZFFTUDTQFIMFY-UHFFFAOYSA-N

• (r)-(+)-3,5-Xylyl-Binap
IUPAC Name: [1-[2-bis(3,5-dimethylphenyl)phosphanylnaphthalen-1-yl]naphthalen-2-yl]-bis(3,5-dimethylphenyl)phosphane | CAS Registry Number: 137219-86-4
Synonyms: (S)-DM-BINAP, DM-BINAP, 3,5-Xylyl-BINAP, (R)-DM-BINAP, (S)-3,5-Xylyl-BINAP, 135139-00-3, (S)-(-)-2,2'-Bis[di(3,5-xylyl)phosphino]-1,1'-binaphthyl, RAC-XYLYL-BINAP, (R)-XYLYL-BINAP, (S)-XYLYL-BINAP, AC1N55SJ, (R)-(+)-XYLBINAP, (S)-(-)-XYLBINAP, RAC-3,5-XYLYL-BINAP, (R)-3,5-XYLYL-BINAP, CTK8E7376, (R)-(+)-3,5-XYLBINAP, (S)-(-)-3,5-XYLBINAP, AKOS015842419, SC11258

Molecular Formula: C52H48P2Molecular Weight: 734.885044 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MXGXXBYVDMVJAO-UHFFFAOYSA-N

• 2,5-Dimethoxyaniline
IUPAC Name: 2,5-dimethoxyaniline | CAS Registry Number: 102-56-7
Synonyms: 2,5-DIMETHOXYANILINE, Aniline, 2,5-dimethoxy-, Benzenamine, 2,5-dimethoxy-, Aminohydroquinone dimethyl ether, 2,5-Dimethoxybenzenamine, 1-Amino-2,5-dimethoxybenzene, WLN: 1OR BZ DO1, 112984_ALDRICH, NSC 4138, EINECS 203-040-9, NSC4138, AIDS019959, AIDS-019959, BRN 0776823, SBB007581, ZINC00388087, C.I. 35811, AI3-16637, LS-19723, 4-13-00-02548 (Beilstein Handbook Reference)

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

InChIKey: NAZDVUBIEPVUKE-UHFFFAOYSA-N

• 2,2-Diethoxyacetophenone
IUPAC Name: 2,2-diethoxy-1-phenylethanone | CAS Registry Number: 6175-45-7
Synonyms: Phenylglyoxal diethyl acetal, alpha,alpha-Diethoxyacetophenone, 2,2-Diethoxy-1-phenylethanone, Ethanone, 2,2-diethoxy-1-phenyl-, CCRIS 5222, Phenylglyoxal 2-diethyl acetal, 227102_ALDRICH, 2,2-Diethoxy-1-phenylethan-1-one, EINECS 228-220-4, NSC 66180, NSC66180, BRN 2100306, .alpha.,.alpha.-Diethoxyacetophenone, ZINC00388477, GLYOXAL, PHENYL-, 2-(DIETHYL ACETAL), LS-72987, 4-07-00-02130 (Beilstein Handbook Reference), 64131-70-0, 85568-36-1

Molecular Formula: C12H16O3Molecular Weight: 208.253640 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: PIZHFBODNLEQBL-UHFFFAOYSA-N

• 1-(Boc-amino)cyclohexanecarboxylic acid
IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic acid | CAS Registry Number: 115951-16-1
Synonyms: Boc-homocycloleucine, 1-tert-Butoxycarbonylamino-cyclohexanecarboxylic acid, Boc-1-Aminocyclohexanecarboxylic acid, 1-[(tert-butoxycarbonyl)amino]cyclohexanecarboxylic acid, 1-{[(tert-butoxy)carbonyl]amino}cyclohexane-1-carboxylic acid, 1-([(TERT-BUTOXY)CARBONYL]AMINO)CYCLOHEXANE-1-CARBOXYLIC ACID, AC1MDRSQ, ACMC-2099rd, SureCN496169, BOC-NH(1)CHEX-OH, AC1Q1N95, 03582_FLUKA, CTK0H4211, MolPort-000-145-159, ACN-S002882, 1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexane-1-carboxylic Acid, ANW-16919, BBL005216, SBB099726, STL096166

Molecular Formula: C12H21NO4Molecular Weight: 243.299440 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: URBHKVWOYIMKNO-UHFFFAOYSA-N

• 1-H 1,2,4-Ltriazole Sodium Salt
IUPAC Name: sodium 2,4-diaza-5-azanidacyclopenta-1,3-diene | CAS Registry Number: 41253-21-8
Synonyms: 1,2,4-Triazole sodium salt, Sodium-1,2-4-triazolide, Sodium 1H-1,2,4-triazolate, Sodium 1H-1,2,4-triazolide, 1,2,4-Triazole, sodium salt, MLS001335997, MLS001335998, 1,2,4-Triazole sodium derivative, 197645_ALDRICH, sodium 1,2,4-triazol-1-ide, 1H-1,2,4-Triazole, sodium salt, EINECS 255-280-9, NCGC00090960-01, SMR000857331, LS-195501, TL8006523, 1H-1,2,4-Triazole, sodium salt (1:1), 117547-14-5

Molecular Formula: C2H2N3NaMolecular Weight: 91.047150 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: NVMNEWNGLGACBB-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

• 2,5-Dimethylphenol
IUPAC Name: 2,5-dimethylphenol | CAS Registry Number: 95-87-4
Synonyms: p-Xylenol, 2,5-Xylenol, 6-Methyl-m-cresol, Phenol, 2,5-dimethyl-, 2,5-DIMETHYLPHENOL, 3,6-Dimethylphenol, 3,6-Xylenol, 2,5-Dimethyl phenol, 1,2,5-Xylenol, 2-Hydroxy-p-xylene, 2,5-Dmp, 1-Hydroxy-2,5-dimethylbenzene, CCRIS 722, FEMA No. 3595, 1,4-Dimethyl-2-hydroxybenzene, HSDB 5296, D174602_ALDRICH, W359505_ALDRICH, WLN: QR B1 E1, 36714_RIEDEL

Molecular Formula: C8H10OMolecular Weight: 122.164400 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: NKTOLZVEWDHZMU-UHFFFAOYSA-N

• 1-Pyrenylboronic acid
IUPAC Name: pyren-1-ylboronic acid | CAS Registry Number: 164461-18-1
Synonyms: Pyren-1-ylboronic Acid, 1-Pyreneboronic acid, Pyrene-1-boronic acid, 1-Boronopyrene, AG-E-14253, 1-Pyrene boronic acid, PubChem16490, AC1NO8KR, ACMC-209dr8, Boronic acid, B-1-pyrenyl-, KSC173S2N, 542873_ALDRICH, CTK0H3926, MolPort-003-936-293, ANW-22098, SBB071317, AKOS015840457, AB21450, AG-E-14258, LS11070

Molecular Formula: C16H11BO2Molecular Weight: 246.068340 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: MWEKPLLMFXIZOC-UHFFFAOYSA-N

• 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-Octanol
IUPAC Name: 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-1-ol | CAS Registry Number: 647-42-7
Synonyms: 1122-FTOH cpd, 370533_ALDRICH, 1H,1H,2H,2H-Perfluorooctanol, 77278_FLUKA, 1H,1H,2H,2H-Perfluorooctan-1-ol, CID69537, EINECS 211-477-1, 1H,1H,2H,2H-Perfluoro-1-octanol, 1,1,2,2-Tetrahydroperfluoro-1-octanol, C508406, 1-Octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro-, 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octanol, 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctan-1-ol, 119937-79-0

Molecular Formula: C8H5F13OMolecular Weight: 364.103942 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 14

InChIKey: GRJRKPMIRMSBNK-UHFFFAOYSA-N

• 2,4-Dichloroaniline
IUPAC Name: 2,4-dichloroaniline | CAS Registry Number: 554-00-7
Synonyms: 2,4-DICHLOROANILINE, o,p-Dichloroaniline, 2,4-Dichloranilin, 2,4-Dichlorobenzenamine, Aniline, 2,4-dichloro-, Benzenamine, 2,4-dichloro-, 2,4-Dichlorophenylamine, 2,4-DCA, WLN: ZR BG DG, 2,4-Dichloranilin [German], 1-Amino-2,4-dichlorobenzene, CCRIS 6012, HSDB 5428, 112151_ALDRICH, 35829_RIEDEL, NSC 8756, 35170_FLUKA, CHEBI:46635, EINECS 209-057-8, 2,4-dichloroaniline hydrochloride

Molecular Formula: C6H5Cl2NMolecular Weight: 162.016600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: KQCMTOWTPBNWDB-UHFFFAOYSA-N

• 2,5-Dimethylpyrazine
IUPAC Name: 2,5-dimethylpyrazine | CAS Registry Number: 123-32-0
Synonyms: Pyrazine, 2,5-dimethyl-, 2,5-DIMETHYLPYRAZINE, 2,5-Dimethylpiazine, 2,5-Dimethylparadiazine, 2,5-Dimethyl pyrazine, 2,5-Dimethyl-1,4-diazine, FEMA No. 3272, CCRIS 2929, 2,5-Dimethylpyrazine (natural), W327204_ALDRICH, PYRAZINE,2,5-DIMETHYL, 175420_ALDRICH, 41535_FLUKA, EINECS 204-618-3, WLN: T6N DNJ B1 E1, NSC 49139, NSC49139, ZINC00003182, AI3-60303, LS-2694

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LCZUOKDVTBMCMX-UHFFFAOYSA-N

• 1,4-Bis(Trichloromethyl)Benzene
IUPAC Name: 1,4-bis(trichloromethyl)benzene | CAS Registry Number: 68-36-0
Synonyms: Bitriben, Chloksil, Hexichol, Khloksil, Chloxil, Chloxyl, Khloxil, Cloxil, Hetol, Hexachloroparaxylol, Hexachloroxylene, Hexachloro-4-xylene, Hexachloro-p-xylene, 2,2-Hexachloro-p-xylene, Benzene, 1,4-bis(trichloromethyl)-, p-Bis(perchloromethyl)benzene, p-Bis(trichloromethyl)benzene, 1,4-BIS(TRICHLOROMETHYL)BENZENE, 1,4-Di(trichloromethyl)benzene, alpha,alpha'-Hexachloroxylene

Molecular Formula: C8H4Cl6Molecular Weight: 312.835360 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: OTEKOJQFKOIXMU-UHFFFAOYSA-N

• 1-Hexene
IUPAC Name: hex-1-ene | CAS Registry Number: 592-41-6
Synonyms: Butylethylene, Hexene-1, 1-HEXENE, 1-n-Hexene, Hexylene, Hexene, Butyl ethylene, Dialene 6, Hex-1-ene, Alkenes, C6-7 alpha-, Alkenes, C6-9 alpha-, HSDB 1079, 1-HEXENE,99%, 230545_ALDRICH, 240761_ALDRICH, 52930_FLUKA, EINECS 209-753-1, NSC 74121, UN2370, (C6-C7) alpha olefins(petroleum)

Molecular Formula: C6H12Molecular Weight: 84.159480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LIKMAJRDDDTEIG-UHFFFAOYSA-N

• 3,4-Methylene Dioxy Benzene
IUPAC Name: 1,3-benzodioxole | CAS Registry Number: 274-09-9
Synonyms: Benzodioxole, 1,3-BENZODIOXOLE, 1,3-Dioxaindan, 1,3-Dioxindan, Methylenedioxybenzene, 1,3-Benzodioxolane, 1,2-Methylenedioxybenzene, 2H-1,3-Benzodioxole, 3,4-Methylenedioxybenzene, o-Methylenedioxybenzene, o-(Methylenedioxy)benzene, (Methylenedioxy)benzene, 1,2-(Methylenedioxy)benzene, Benzene, 1,2-methylenedioxy-, Benzene, 1,2-(methylenedioxy)-, ghl.PD_Mitscher_leg0.1027, 159166_ALDRICH, WLN: T56 BO DO CHJ, CHEBI:38732, EINECS 205-992-0

Molecular Formula: C7H6O2Molecular Weight: 122.121340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FTNJQNQLEGKTGD-UHFFFAOYSA-N

• 2,6-Xylidine
IUPAC Name: 2,6-dimethylaniline | CAS Registry Number: 87-62-7
Synonyms: 2,6-Dimethylaniline, o-Xylidine, 2,6-XYLIDINE, 2-Amino-m-xylene, Xylylamine, 2,6-Xylylamine, o-Xylidine (VAN), Benzenamine, 2,6-dimethyl-, 2-Amino-1,3-xylene, 2,6-Dimethylbenzenamine, Aniline, 2,6-dimethyl-, 2,6-Dimethylphenylamine, 2-Amino-1,3-dimethylbenzene, 1-Amino-2,6-dimethylbenzene, 2,6-xylidine hydrochloride, CCRIS 2373, 2,6-xylidine, 3H-labeled, NCI-C56188, HSDB 2094, D146005_ALDRICH

Molecular Formula: C8H11NMolecular Weight: 121.179640 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: UFFBMTHBGFGIHF-UHFFFAOYSA-N

• 1,1'-bis(diphenylphosphino)ferrocene
IUPAC Name: cyclopenta-2,4-dien-1-yl(diphenyl)phosphane; iron | CAS Registry Number: 12150-46-8
Synonyms: NSC238923

Molecular Formula: C34H20FeP2-10Molecular Weight: 546.315122 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 10

InChIKey: KNVAAITVNCIMBM-UHFFFAOYSA-N

• 2,6-Bis(hydroxymethyl)-P-Cresol
IUPAC Name: 2,6-bis(hydroxymethyl)-4-methylphenol | CAS Registry Number: 91-04-3
Synonyms: 2,6-Dimethylol-p-cresol, 2,6-Bis(hydroxymethyl)-p-cresol, 2,6-Dimethylol-4-methylphenol, 2,6-Di(hydroxymethyl)-p-cresol, Oprea1_724006, Oprea1_756581, 2,6-Bis(hydroxymethyl)-4-methylphenol, 3,5-Bis(hydroxymethyl)-p-cresol, 227528_ALDRICH, alpha1,alpha,2-Trihydroxymesitylene, NSC15838, STOCK2S-07763, EINECS 202-036-4, CID7039, NSC 15838, BRN 1240237, STK394976, ZINC00157908, 1,3-BENZENEDIMETHANOL, 2-HYDROXY-5-METHYL-, 2-Hydroxy-5-methyl-1,3-benzenedimethanol

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

InChIKey: KUMMBDBTERQYCG-UHFFFAOYSA-N

• 2,6-Dichlorobenzoic Acid
IUPAC Name: 2,6-dichlorobenzoic acid | CAS Registry Number: 50-30-6
Synonyms: 2,6-DICHLOROBENZOIC ACID, Benzoic acid, 2,6-dichloro-, WLN: QVR BG FG, D57450_ALDRICH, 36706_RIEDEL, 35310_FLUKA, CHEBI:48623, EINECS 200-025-9, NSC 76599, NSC76599, BRN 0973858, SBB007694, AI3-33337, FR-0125, LS-1303, NCGC00091649-01, TL806245, 4-09-00-01005 (Beilstein Handbook Reference), BENZOIC ACID,2,6-DICHLORO MFC7 H4 O2 CL2, InChI=1/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11

Molecular Formula: C7H4Cl2O2Molecular Weight: 191.011460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MRUDNSFOFOQZDA-UHFFFAOYSA-N

• 1,2-Octanediol
IUPAC Name: octane-1,2-diol | CAS Registry Number: 1117-86-8
Synonyms: 1,2-Dihydroxyoctane, 1,2-OCTANEDIOL, 1,2-Octylene glycol, octane-1,2-diol, NCIOpen2_000498, 213705_ALDRICH, CHEBI:34056, AIDS017556, AIDS-017556, NSC71546, EINECS 214-254-7, NSC 71546, AI3-13058, C14273, 87720-89-6

Molecular Formula: C8H18O2Molecular Weight: 146.227320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: AEIJTFQOBWATKX-UHFFFAOYSA-N

• 2-Amino-4-hydroxyethylaminoanisole sulfate
IUPAC Name: 2-(3-amino-4-methoxyanilino)ethanol;sulfuric acid | CAS Registry Number: 83763-48-8
Synonyms: 5-(2-Hydroxyethylamino)-2-methoxylaniline sulfate, 2-Amino-4-hydroxyethylamino anisole sulfate, SureCN143437, AGN-PC-001GRW, KSC448A6J, CTK3E8064, MolPort-000-001-085, ACT07275, AKOS015856651, AG-H-34254, AC-18091, AK-32269, BR-32269, KB-73003, AB1008668, KB-167145, TL8005493, ST51051661, 2-Methoxy-5-hydroxyethylamino aniline sulfate, 2-AMINO-4-HYDROXYETHYLAMINOANISOLESULFATE

Molecular Formula: C9H16N2O6SMolecular Weight: 280.298140 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 8

InChIKey: GWHLYFOWAINYAH-UHFFFAOYSA-N

• 2 5-Dimethyl Hexane-2 5-Diol
IUPAC Name: 2,5-dimethylhexane-2,5-diol | CAS Registry Number: 110-03-2
Synonyms: Dimethylhexanediol, 2,5-Hexanediol, 2,5-dimethyl-, 2,5-Dimethylhexanediol, 2,5-Dimethylhexane-2,5-diol, MLS001055396, 2,5-DIMETHYL-2,5-HEXANEDIOL, 1,1,4,4-Tetramethyl-1,4-butanediol, 143618_ALDRICH, HSDB 5395, NSC5595, NSC 5595, EINECS 203-731-5, ZINC02504411, NCGC00090935-01, SMR000677933, 2,5-DIHYDROXY-2,5-DIMETHYLHEXANE, AI3-20685

Molecular Formula: C8H18O2Molecular Weight: 146.227320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: ZWNMRZQYWRLGMM-UHFFFAOYSA-N

• 2,4,4,6-Tetrabromo-2,5-cyclohexadienone
IUPAC Name: 2,4,4,6-tetrabromocyclohexa-2,5-dien-1-one | CAS Registry Number: 20244-61-5
Synonyms: Ambap2906, 302384_ALDRICH, EINECS 243-638-7, NSC176338, ZINC01720654, 2,4,4,6-Tetrabromocyclohexa-2,5-dienone, 2,5-Cyclohexadien-1-one, 2,4,4,6-tetrabromo-

Molecular Formula: C6H2Br4OMolecular Weight: 409.695480 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: NJQJGRGGIUNVAB-UHFFFAOYSA-N

• 2,6-Dichloro-3-Nitropyridine
IUPAC Name: 2,6-dichloro-3-nitropyridine | CAS Registry Number: 16013-85-7
Synonyms: 2,6-Dichloro-3-nitropyridine, 193585_ALDRICH, BB_SC-2981, Pyridine, 2,6-dichloro-3-nitro-, EINECS 240-151-1, SBB003614, ZINC00967353, D267, TL806195, AC-907/30002032, InChI=1/C5H2Cl2N2O2/c6-4-2-1-3(9(10)11)5(7)8-4/h1-2

Molecular Formula: C5H2Cl2N2O2Molecular Weight: 192.987580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: SHCWQWRTKPNTEM-UHFFFAOYSA-N

• 1-Bromo-4-iodobenzene
IUPAC Name: 1-bromo-4-iodobenzene | CAS Registry Number: 589-87-7
Synonyms: p-Bromoiodobenzene, p-Iodobromobenzene, p-Bromophenyl iodide, Benzene, 1-bromo-4-iodo-, 4-BROMOIODOBENZENE, 238090_ALDRICH, NSC8033, NSC 8033, EINECS 209-662-7, BBV-080402, AI3-09032, InChI=1/C6H4BrI/c7-5-1-3-6(8)4-2-5/h1-4

Molecular Formula: C6H4BrIMolecular Weight: 282.904430 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: UCCUXODGPMAHRL-UHFFFAOYSA-N

• 1-Methylpentylamine
IUPAC Name: hexan-2-amine | CAS Registry Number: 5329-79-3
Synonyms: 2-Hexanamine, 2-Aminohexane, 2-Hexylamine, Pentylamine, 1-methyl-, NSC2601, Pentylamine, 1-methyl- (8CI), MolPort-003-913-020, CID21405, NSC 2601, EINECS 226-220-9, BBV-7338106, AI3-16553, 68107-05-1

Molecular Formula: C6H15NMolecular Weight: 101.190000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WGBBUURBHXLGFM-UHFFFAOYSA-N

• 2-Acetothiophene
IUPAC Name: 1-thiophen-2-ylethanone | CAS Registry Number: 88-15-3
Synonyms: 2-Acetothienone, 2-ACETYLTHIOPHENE, Ketone, methyl 2-thienyl, Methyl 2-thienyl ketone, alpha-Acetylthiophene, Ethanone, 1-(2-thienyl)-, 2-Thienyl methyl ketone, 1-(2-Thienyl)ethanone, Methyl-2-thienyl ketone, 1-thiophen-2-yl-ethanone, THIOPHENE,2-ACETYL, WLN: T5SJ BV1, A22602_ALDRICH, W503509_ALDRICH, NSC 2345, 01490_FLUKA, EINECS 201-804-6, NSC2345, AIDS018339, AIDS-018339

Molecular Formula: C6H6OSMolecular Weight: 126.176240 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: WYJOVVXUZNRJQY-UHFFFAOYSA-N

• 2,3,5-Trimethylphenol
IUPAC Name: 2,3,5-trimethylphenol | CAS Registry Number: 697-82-5
Synonyms: Isopseudocumenol, Trimethylphenol, 2,3,5-TRIMETHYLPHENOL, Phenol, 2,3,5-trimethyl-, Ambap7241, 6-HYDROXYPSEUDOCUMENE, 1-Hydroxy-2,3,5-trimethylbenzene, T78603_ALDRICH, 34308_RIEDEL, 92690_FLUKA, CHEBI:38570, NSC5296, NSC 5296, EINECS 211-806-9, ZINC01235982, Phenol, 2,3,5(or 3,4,5)-trimethyl-, TL8004904, B10001, InChI=1/C9H12O/c1-6-4-7(2)8(3)9(10)5-6/h4-5,10H,1-3H, 70969-66-3

Molecular Formula: C9H12OMolecular Weight: 136.190980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: OGRAOKJKVGDSFR-UHFFFAOYSA-N

• 2,2-Dimethyl-1,3-Dioxolane
IUPAC Name: 2,2-dimethyl-1,3-dioxolane | CAS Registry Number: 2916-31-6
Synonyms: 2,2-Dimethyl-1,3-dioxolane, Acetone ethylene ketal, Acetone ethylene acetal, 1,3-Dioxolane, 2,2-dimethyl-, D155624_ALDRICH, NSC86111, CID76209, EINECS 220-842-4, ZINC00388598, TL8002297

Molecular Formula: C5H10O2Molecular Weight: 102.131700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: SIJBDWPVNAYVGY-UHFFFAOYSA-N

• 2,2-Dichlorodiethyl Ether
IUPAC Name: 1-chloro-2-(2-chloroethoxy)ethane | CAS Registry Number: 111-44-4
Synonyms: Dichloroether, Khloreks, Chlorex, Clorex, Chloroethyl ether, 2-Chloroethyl ether, Dichloroethyl ether, Dichloroethyl oxide, Ether dichlore, Bis(2-chloroethyl)ether, DCEE, Dicholoroethyl ether, sym-Dichloroethyl ether, BCEE, s-Dichloroethyl ether, 2,2'-Dichlorethyl ether, Caswell No. 309, Bis-2-chloroethylether, Di(2-chloroethyl) ether, BIS(2-CHLOROETHYL) ETHER

Molecular Formula: C4H8Cl2OMolecular Weight: 143.011720 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: ZNSMNVMLTJELDZ-UHFFFAOYSA-N

• 2,6-Diacetylpyridine
IUPAC Name: 1-(6-acetylpyridin-2-yl)ethanone | CAS Registry Number: 1129-30-2
Synonyms: Pyridine-2,6-diacetyl, D8801_ALDRICH, NSC63355, 31547_FLUKA, CID70790, EINECS 214-442-9, ZINC01081261, FR-2379, Ethanone, 1,1'-(2,6-pyridinediyl)bis-, ST5307722

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: BEZVGIHGZPLGBL-UHFFFAOYSA-N

• 2,7-Dihydroxy Naphthalene
IUPAC Name: naphthalene-2,7-diol | CAS Registry Number: 582-17-2
Synonyms: 2,7-Naphthalenediol, Naphthalene-2,7-diol, 2,7-DIHYDROXYNAPHTHALENE, CI 76645, Naphthalenediol-2,7 [French], D116408_ALDRICH, NSC 407541, 37781_FLUKA, EINECS 209-478-7, AIDS017777, 2,7-Naphthalenediol (8CI,9CI), C.I. 76645, AIDS-017777, BRN 2042383, NSC407541, ZINC00388554, LS-94572, ST5406389, 4-06-00-06570 (Beilstein Handbook Reference)

Molecular Formula: C10H8O2Molecular Weight: 160.169320 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: DFQICHCWIIJABH-UHFFFAOYSA-N


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