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Equinox Chemicals, Inc.

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Profile: Equinox Chemicals, Inc. specializes in the preparation and design of organic molecules. We are an ISO 9001 and Kosher certified company. We offer a wide range of synthetic services. We have extensive in-house synthetic and manufacturing capabilities. We serve government, R&D, pharmaceutical, food, flavor, fragrance, industrial coatings, polymers, semi conductor, alternate fuels and specialty chemical sectors.

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• 2-Iodophenylacetic acid
IUPAC Name: 2-(2-iodophenyl)acetic acid | CAS Registry Number: 18698-96-9
Synonyms: 2-(2-iodophenyl)acetic acid, 2-Iodophenylaceticacid, o-IODOPHENYLACETIC ACID, SBB063206, PubChem2552, CDS1_000853, ACMC-209eox, 2-Iodobenzeneacetic acid, AC1MCX0H, Maybridge1_005605, SureCN314806, AC1Q74VQ, Benzeneaceticacid, 2-iodo-, benzeneacetic acid, 2-iodo-, Oprea1_299760, KSC174I5P, DivK1c_001893, 531472_ALDRICH, RARECHEM AL BO 1302, CTK0H4457

Molecular Formula: C8H7IO2Molecular Weight: 262.044450 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: IUHXGZHKSYYDIL-UHFFFAOYSA-N

• 2-Bromo-3-Methoxypyridine
IUPAC Name: 2-bromo-3-methoxypyridine | CAS Registry Number: 24100-18-3
Synonyms: 2-Bromo-3-methoxypyridine, 649716_ALDRICH, 653004_ALDRICH, Pyridine, 2-bromo-3-methoxy-, EINECS 246-017-9, SBB005633

Molecular Formula: C6H6BrNOMolecular Weight: 188.021940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PDOWLYNSFYZIQX-UHFFFAOYSA-N

• 2-Bromo 5 Methyl Pyridine
IUPAC Name: 2-bromo-5-methylpyridine | CAS Registry Number: 3510-66-5
Synonyms: 2-Bromo-5-methylpyridine, 6-Bromo-3-picoline, Ambap5280, Pyridine, 2-bromo-5-methyl-, 2-Bromo-5-Methyl Pyridine, TPC-PY066, 263354_ALDRICH, ZINC00409192, B210, TL8002615, InChI=1/C6H6BrN/c1-5-2-3-6(7)8-4-5/h2-4H,1H

Molecular Formula: C6H6BrNMolecular Weight: 172.022540 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: YWNJQQNBJQUKME-UHFFFAOYSA-N

• 5,6-Dichloro Nicotinic Acid
IUPAC Name: 5,6-dichloropyridine-3-carboxylic acid | CAS Registry Number: 41667-95-2
Synonyms: 5,6-Dichloronicotinic acid, 340219_ALDRICH, NSC63885, 36000_FLUKA, 5,6-Dichloropyridine-3-carboxylic acid, CID247987, SBB003623, D231, TL8003000, InChI=1/C6H3Cl2NO2/c7-4-1-3(6(10)11)2-9-5(4)8/h1-2H,(H,10,11

Molecular Formula: C6H3Cl2NO2Molecular Weight: 191.999520 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RNRLTTNKVLFZJS-UHFFFAOYSA-N

• 1,3,5-Trithiane
IUPAC Name: 1,3,5-trithiane | CAS Registry Number: 291-21-4
Synonyms: s-Trithiane, Trithioformaldehyde, Thioform, sym-Trithiane, sym-Trithian, 1,3,5-TRITHIANE, Trimethylene trisulfide, Thioform [Czech], sym.-Trithiane, Trimethylentrisulfid, 1,3,5-Trithiacyclohexane, sym-Trithian [Czech], 1,3,5-trithian, Thioformaldehyde trimer, Formaldehyde, thio-, trimer, Trimethylentrisulfid [Czech], WLN: T6S CS ESTJ, T88404_ALDRICH, NSC1937, NSC 1937

Molecular Formula: C3H6S3Molecular Weight: 138.274740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: LORRLQMLLQLPSJ-UHFFFAOYSA-N

• 9-Bromononanoic acid
IUPAC Name: 9-bromononanoic acid | CAS Registry Number: 41059-02-3
Synonyms: 9-bromo-nonanoic acid, 9-BROMO NONANOIC ACID, CID548221, LMFA01090026

Molecular Formula: C9H17BrO2Molecular Weight: 237.134080 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XEGRKZRPTBNSMN-UHFFFAOYSA-N

• (S)-2-boc-Amino-1,5-PentaneDiol
IUPAC Name: tert-butyl N-[(2S)-1,5-dihydroxypentan-2-yl]carbamate | CAS Registry Number: 162955-48-8
Synonyms: 536644_ALDRICH, ZINC02506797, (S)-(−)-2-(Boc-amino)-1,5-pentanediol

Molecular Formula: C10H21NO4Molecular Weight: 219.278040 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 4

InChIKey: UBNNKNSFDFANKW-QMMMGPOBSA-N

• 3-Ethylaniline
IUPAC Name: 3-ethylaniline | CAS Registry Number: 587-02-0
Synonyms: m-Ethylaniline, 3-Ethylbenzenamine, 3-Ethylphenylamine, Benzenamine, 3-ethyl-, Aniline, 3-ethyl-, ANILINE, m-ETHYL-, 175498_ALDRICH, Benzenamine, 3-ethyl- (9CI), EINECS 209-594-8, BRN 0636282, ZINC02034642, LS-19795, 4-12-00-02417 (Beilstein Handbook Reference), C514327, InChI=1/C8H11N/c1-2-7-4-3-5-8(9)6-7/h3-6H,2,9H2,1H

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

InChIKey: AMKPQMFZCBTTAT-UHFFFAOYSA-N

• 3,5-Dihydroxy Benzaldehyde
IUPAC Name: 3,5-dihydroxybenzaldehyde | CAS Registry Number: 26153-38-8
Synonyms: 3,5-Dihydroxybenzaldehyde, .alpha.-Resorcylic aldehyde, Benzaldehyde, 3,5-dihydroxy-, 368113_ALDRICH, 37523_FLUKA, CHEBI:50204, EINECS 247-479-4, ZINC02566024, FR-2389, InChI=1/C7H6O3/c8-4-5-1-6(9)3-7(10)2-5/h1-4,9-10

Molecular Formula: C7H6O3Molecular Weight: 138.120740 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HAQLHRYUDBKTJG-UHFFFAOYSA-N

• 2,4-Dichloro-5-trifluoromethylpyrimidine
IUPAC Name: 2,4-dichloro-5-(trifluoromethyl)pyrimidine | CAS Registry Number: 3932-97-6
Synonyms: 2,4-Dichloro-5-(trifluoromethyl)pyrimidine, 2,4-Dichloro-5-trifluoromethyl-pyrimidine, 5-trifluoromethyl-2,4-dichloropyrimidine, ZINC02580954, PubChem5304, ACMC-1CN5T, 684864_ALDRICH, AC1MD327, CTK1C1950, MolPort-000-003-502, ANW-49227, SBB095342, AKOS005063355, AB14881, AC-6522, AG-A-25827, LS20522, QC-4239, RL03495, RP27012

Molecular Formula: C5HCl2F3N2Molecular Weight: 216.976050 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: IDRUEHMBFUJKAK-UHFFFAOYSA-N

• 1,1-Diphenylethanol
IUPAC Name: 1,1-diphenylethanol | CAS Registry Number: 599-67-7
Synonyms: Diphenylmethylcarbinol, Methyldiphenylcarbinol, alpha-Methylbenzhydrol, 1,1-Diphenyl-1-ethanol, Benzhydrol, .alpha.-methyl-, .alpha.-Methylbenzhydrol, NSC33, alpha-Methylbenzhydryl alcohol, 1,1-DIPHENYL ETHANOL, 152145_ALDRICH, NSC 33, Benzhydrol, alpha-methyl- (8CI), CID69031, EINECS 209-970-1, ICCB1_000119, ZINC01090568, Benzenemethanol, .alpha.-methyl-.alpha.-phenyl-, BBV-27279572, AI3-05842, Benzenemethanol, alpha-methyl-alpha-phenyl-

Molecular Formula: C14H14OMolecular Weight: 198.260360 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GIMDPFBLSKQRNP-UHFFFAOYSA-N

• 1,2-Epoxyoctadecane
IUPAC Name: 2-hexadecyloxirane | CAS Registry Number: 7390-81-0
Synonyms: Hexadecyloxirane, Oxirane, hexadecyl-, 2-Hexadecyloxirane, 1,2-EPOXYOCTADECANE, Oxirane, 2-hexadecyl-, CCRIS 2619, EINECS 230-977-0, CID23872, AI3-26311, LS-1628, 165323-66-0

Molecular Formula: C18H36OMolecular Weight: 268.477840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: QBJWYMFTMJFGOL-UHFFFAOYSA-N

• 3-(4'-Chlorophenyl)Propyl Chloride
IUPAC Name: 1-chloro-4-(3-chloropropyl)benzene | CAS Registry Number: 64473-34-3
Synonyms: 1-chloro-4-(3-chloropropyl)benzene, OR1591, CID2735720, 3(p-CHLOROPHENYL)PROPYL CHLORIDE

Molecular Formula: C9H10Cl2Molecular Weight: 189.081700 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: FYUVHLUSUWWUPY-UHFFFAOYSA-N

• 2-Iodobenzyl Alcohol
IUPAC Name: (2-iodophenyl)methanol | CAS Registry Number: 5159-41-1
Synonyms: 2-Iodobenzyl alcohol, 2-Iodobenzylic alcohol, Benzenemethanol, 2-iodo-, (2-Iodophenyl)methanol, Benzyl alcohol, o-iodo-, 183636_ALDRICH, ZINC00391102, EINECS 225-933-2, CID107629, FS000604, LT03383027, InChI=1/C7H7IO/c8-7-4-2-1-3-6(7)5-9/h1-4,9H,5H

Molecular Formula: C7H7IOMolecular Weight: 234.034350 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: WZCXOBMFBKSSFA-UHFFFAOYSA-N

• 4,4,4-Trifluorocrotonamide
IUPAC Name: (E)-4,4,4-trifluorobut-2-enamide | CAS Registry Number: 590-76-1
Synonyms: (2E)-4,4,4-trifluorobut-2-enamide, 4,4,4-trifluorobut-2-enamide, ZINC02556478, AC1NWNIT, HiFHpAxIAICICHiBeJifAAP, PC7293L, MolPort-000-158-876, SBB086042, (E)-4,4,4-trifluoro-2-butenamide, (E)-4,4,4-trifluorobut-2-enamide, AKOS005063494, RP20495, KB-35400, (E)-4,4,4-tris(fluoranyl)but-2-enamide, FT-0616975, A832142, 3S105058, I05-0514

Molecular Formula: C4H4F3NOMolecular Weight: 139.075870 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: UUJWVXVMQOGZID-OWOJBTEDSA-N

• 2(3,5-Dihydroxy) Benzoic Acid
IUPAC Name: 3,5-dihydroxybenzoic acid | CAS Registry Number: 99-10-5
Synonyms: alpha-Resorcylic acid, 5-Carboxyresorcinol, 3,5-DIHYDROXYBENZOIC ACID, .alpha.-Resorcylic acid, Benzoic acid, 3,5-dihydroxy-, Ambap1483, 3,5-DIHYDROXYBENZOATE, D110000_ALDRICH, EINECS 202-730-7, NSC 22948, AIDS018063, AIDS-018063, NSC22948, BRN 2207864, AI3-52338, LS-143431, TL8006060, 4-10-00-01501 (Beilstein Handbook Reference), 34D, InChI=1/C7H6O4/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,8-9H,(H,10,11

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

InChIKey: UYEMGAFJOZZIFP-UHFFFAOYSA-N

• 2-Acetyl Pyridine
IUPAC Name: 1-pyridin-2-ylethanone | CAS Registry Number: 1122-62-9
Synonyms: 2-ACETYLPYRIDINE, Acetylpyridine, 2-Acetopyridine, Ketone, methyl 2-pyridyl, Methyl 2-pyridyl ketone, 2-Pyridyl methyl ketone, Ethanone, 1-(2-pyridinyl)-, 1-(2-Pyridinyl)ethanone, 1-pyridin-2-ylethanone, 2-Acetylpyridine (natural), FEMA No. 3251, CCRIS 7784, A21002_ALDRICH, FEMA 3251, MLS002152864, W325104_ALDRICH, 61803_FLUKA, EINECS 214-355-6, NSC 15043, CID14286

Molecular Formula: C7H7NOMolecular Weight: 121.136580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: AJKVQEKCUACUMD-UHFFFAOYSA-N

• 4-Methyoxy Benzyl Cyanide
IUPAC Name: 2-(4-methoxyphenyl)acetonitrile | CAS Registry Number: 104-47-2
Synonyms: Anisylacetonitrile, p-Methoxybenzyl cyanide, 4-Methoxyphenylacetonitrile, p-Methoxyphenylacetonitrile, p-Methoxybenzeneacetonitrile, Benzeneacetonitrile, 4-methoxy-, 4-Methoxybenzyl cyanide, Acetonitrile, (p-methoxyphenyl)-, NSC 96, NSC96, (4-methoxyphenyl)acetonitrile, 169986_ALDRICH, EINECS 203-206-0, BRN 0509162, ZINC00157051, LS-13281, SB 01293, 4-10-00-00555 (Beilstein Handbook Reference)

Molecular Formula: C9H9NOMolecular Weight: 147.173860 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: PACGLQCRGWFBJH-UHFFFAOYSA-N

• 2-Amino-4-Methyl Pyridine
IUPAC Name: 4-methylpyridin-2-amine | CAS Registry Number: 695-34-1
Synonyms: Ascensil, 2-Amino-4-picoline, 4-Picolylamine, Aminton, W 45 Raschig, 2-amino-4-methylpyridine, 4-Methyl-2-pyridinamine, 2-Pyridinamine, 4-methyl-, 4-Methyl-2-pyridylamine, 4-Methyl-2-aminopyridine, 4-PICOLINE, 2-AMINO-, Methyl-4 amino-2-pyridine, nchembio.115-comp6, 4M2AP, alpha-Amino-gamma-picoline, Tocris-1020, Pyridine, 2-amino-4-methyl-, 4-methylpyridin-2-ylamine, WLN: T6NJ BZ D1, 4-METHYLPYRIDIN-2-AMINE

Molecular Formula: C6H8N2Molecular Weight: 108.141120 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ORLGLBZRQYOWNA-UHFFFAOYSA-N

• 4-Methylmorpholine N-Oxide
IUPAC Name: 4-methyl-4-oxidomorpholin-4-ium | CAS Registry Number: 7529-22-8
Synonyms: 4-Methylmorpholine 4-oxide, N-Methylmorpholine oxide, NMO solution, 4-Methylmorpholine N-oxide, Methyl morpholine oxide, Morpholine, 4-methyl-, 4-oxide, 4-Methylmorpholine-4-oxide, N-Methylmorpholine N-oxide, N-Methylmorpholine-N-oxide, N-Methylmorpholine 4-oxide, NCIOpen2_000398, NCIOpen2_000960, 224286_ALDRICH, 258822_ALDRICH, 589683_ALDRICH, 4-Methylmorpholine 4-oxide monohydrate, NSC73198, 67874_FLUKA, CHEBI:52093, EINECS 231-391-8

Molecular Formula: C5H11NO2Molecular Weight: 117.146340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: LFTLOKWAGJYHHR-UHFFFAOYSA-N

• 2,2-Difluorosuccinic acid
IUPAC Name: 2,2-difluorobutanedioic acid | CAS Registry Number: 665-31-6
Synonyms: EINECS 211-558-1, BTB 12859, SR-01000642429-1

Molecular Formula: C4H4F2O4Molecular Weight: 154.068966 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 6

InChIKey: ZYLFHISLYSHWRH-UHFFFAOYSA-N

• 5-Bromo, 5-Nitro, 1:3 Dioxane
IUPAC Name: 5-bromo-5-nitro-1,3-dioxane | CAS Registry Number: 30007-47-7
Synonyms: Bronidox, 5-Bromo-5-nitro-1,3-dioxane, 5-Bromo-5-nitro-m-dioxane, 1,3-Dioxane, 5-bromo-5-nitro-, B8791_SIGMA, EINECS 250-001-7, m-DIOXANE, 5-BROMO-5-NITRO-, 5-Brom-5-nitro-1,3-dioxan [German], BRN 4668673, ZINC02011293, LS-62273

Molecular Formula: C4H6BrNO4Molecular Weight: 211.998740 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: XVBRCOKDZVQYAY-UHFFFAOYSA-N

• 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine
IUPAC Name: 5-(4-chlorophenyl)-1,3,4-thiadiazol-2-amine | CAS Registry Number: 28004-62-8
Synonyms: 2-Amino-5-(4-chlorophenyl)-1,3,4-thiadiazole, CHEMBL1383520, 5-(4-Chloro-phenyl)-[1,3,4]thiadiazol-2-ylamine, 5-(4-chlorophenyl)-[1,3,4]thiadiazol-2-ylamine, 5-(4-chlorophenyl)-1,3,4-thiadiazole-2-ylamine, ZINC00028531, AC1LDK1D, SureCN1143676, Oprea1_452072, Oprea1_863270, MLS000525910, 573744_ALDRICH, STOCK2S-48011, MolPort-000-147-346, HMS2503M07, BBL002951, GEO-00104, SBB000521, STK101084, AKOS000225420

Molecular Formula: C8H6ClN3SMolecular Weight: 211.671340 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 4

InChIKey: OAVULPOOAHQYDZ-UHFFFAOYSA-N

• 4,4,4-Trifluorobutyric Acid
IUPAC Name: 4,4,4-trifluorobutanoate | CAS Registry Number: 406-93-9
Synonyms: ZINC02149736, CID7004208

Molecular Formula: C4H4F3O2-Molecular Weight: 141.068570 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: WTUCTMYLCMVYEX-UHFFFAOYSA-M

• 3-Methylpyrazole
IUPAC Name: 5-methyl-1H-pyrazole | CAS Registry Number: 1453-58-3
Synonyms: 5-Methylpyrazole, 3(5)-Methylpyrazole, Pyrazole, 5-methyl-, PYRAZOLE, 3-METHYL-, 5-methyl-1H-pyrazole, 1H-Pyrazole, 3-methyl-, M75802_ALDRICH, EINECS 215-925-7, BB_SC-3908, ALBB-006081, BRN 0001454, SBB004404, ZINC04701702, LS-128523, TL8001003, 5-23-05-00004 (Beilstein Handbook Reference), InChI=1/C4H6N2/c1-4-2-3-5-6-4/h2-3H,1H3,(H,5,6, 88054-14-2

Molecular Formula: C4H6N2Molecular Weight: 82.103840 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: XKVUYEYANWFIJX-UHFFFAOYSA-N

• 2-(Di-tert-butylphosphino)-1,1'-binaphthyl
IUPAC Name: ditert-butyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane | CAS Registry Number: 255836-67-0
Synonyms: [1,1'-Binaphthalen]-2-yldi-tert-butylphosphine, 2-(DI-TERT-BUTYLPHOSPHINO)-1,1-BINAPHTHYL, TRIXIEPHOS, SureCN202312, AC1MC2A8, SureCN3656667, CTK8B6697, ANW-54058, AKOS016000183, SC11283, AK-48836, KB-163416, 1,1'-BINAPHTHYL-2-YLDI-TERT-BUTYLPHOSPHINE, 2-(DI-TERT-BUTYLPHOSPHINO)-1,1'-BINAPHTHYL, 2-[DI(TERT-BUTYL)PHOSPHINO]-1,1'-BINAPHTHYL, I14-60320, RAC-2-(DI-T-BUTYLPHOSPHINO)-1,1'-BINAPHTHYL, RACEMIC-2-DI-T-BUTYLPHOSPHINO-1,1'-BINAPHTHYL, ditert-butyl-(1-naphthalen-1-ylnaphthalen-2-yl)phosphane, RAC-2-(DI-TERT-BUTYLPHOSPHINO)-1,1'-BINAPHTHYL

Molecular Formula: C28H31PMolecular Weight: 398.519502 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: QGBQGMHXBSLYLZ-UHFFFAOYSA-N

• 1,4-Dihydroxy-2,6-Dimethoxybenzene
IUPAC Name: 2,6-dimethoxybenzene-1,4-diol | CAS Registry Number: 15233-65-5
Synonyms: 2,6-Dimethoxyquinol, 2,6-Dimethoxyhydroquinone, 3,5-Dimethoxyhydroquinone, Ambap7637, Hydroquinone, 2,6-dimethoxy-, 2,6-Dimethoxy hydroquinone, 2,6-Dimethoxyhydroxyquinone, 1,4-Benzenediol, 2,6-dimethoxy-, 565032_ALDRICH, NSC49356, EINECS 239-282-7, WLN: L6V DVJ BO1 FO1, NSC 49356, CID96038, BRN 1952669, 1,4-Dihydroxy-2,6-dimethoxybenzene, LS-77295, 1,4-Benzenediol, 2,6-dimethoxy- (9CI), 4-06-00-07684 (Beilstein Handbook Reference)

Molecular Formula: C8H10O4Molecular Weight: 170.162600 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: GXAVBFNRWXCOPY-UHFFFAOYSA-N

• 5-Methyl-2-pyrazinemethanamine
IUPAC Name: (5-methylpyrazin-2-yl)methanamine | CAS Registry Number: 132664-85-8
Synonyms: 2-(Aminomethyl)-5-methylpyrazine, (5-methylpyrazin-2-yl)methanamine, (5-methylpyrazin-2-yl)methylamine, 5-methyl-2-pyrazinemethanamine, SBB052489, AG-D-66389, c-(5-methyl-pyrazin-2-yl)-methylamine, AC1MBTPI, ACMC-209bpq, SureCN5476, AC1Q2OGL, 2-aminomethyl-5-methylpyrazine, CTK3J4699, MolPort-000-151-136, (5-methyl-2-pyrazinyl)methanamine, ANW-19452, AKOS000163889, PB33936, RP08842, 2-(Aminomethyl)-5-methyl-1,4-diazine

Molecular Formula: C6H9N3Molecular Weight: 123.155760 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MPBCUCGKHDEUDD-UHFFFAOYSA-N

• (2R,3R)-Diethyl 2,3-Epoxysuccinate
IUPAC Name: diethyl (2R,3R)-oxirane-2,3-dicarboxylate | CAS Registry Number: 74243-85-9
Synonyms: 586250_ALDRICH, CHEBI:244387, ZINC02382901, ZINC02569611, CID2733646, (2R,3R)-Diethyl-2,3-epoxy succinate, (2R,3R)-Oxirane-2,3-dicarboxylic acid diethyl ester

Molecular Formula: C8H12O5Molecular Weight: 188.177880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LDFQMMUIJQDSAB-PHDIDXHHSA-N

• 5-Chloromethyl Salicylate
IUPAC Name: methyl 5-chloro-2-hydroxybenzoate | CAS Registry Number: 4068-78-4
Synonyms: Methyl 5-chlorosalicylate, NCIOpen2_001176, Methyl 5-chloro-2-hydroxybenzoate, 165018_ALDRICH, ARONIS023378, NSC85495, EINECS 223-778-5, NSC 85495, ZINC00154587, Salicylic acid, 5-chloro-, methyl ester, TL806120, ST5403663, Benzoic acid, 5-chloro-2-hydroxy-, methyl ester, Salicylic acid, 5-chloro-, methyl ester (8CI), AN-652/43414006

Molecular Formula: C8H7ClO3Molecular Weight: 186.592380 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: KJWHRMZKJXOWFC-UHFFFAOYSA-N

• 2-Bromo-1h-Imidazole
IUPAC Name: 2-bromo-1H-imidazole | CAS Registry Number: 16681-56-4
Synonyms: sFtHEabILiluH@, 2-Bromo-1H-imidazole, 666521_ALDRICH, ZINC02577854

Molecular Formula: C3H3BrN2Molecular Weight: 146.973320 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: AXHRGVJWDJDYPO-UHFFFAOYSA-N

• 4-(4-Methoxyphenyl)-1-Butanol
IUPAC Name: 4-(4-methoxyphenyl)butan-1-ol | CAS Registry Number: 52244-70-9
Synonyms: 4-(p-Methoxyphenyl)butanol, 4-(4-Methoxyphenyl)-1-butanol, 4-(p-Methoxyphenyl)-1-butanol, 4-(4-Methoxyphenyl)butan-1-ol, EINECS 257-782-3, NSC141198, ZINC01726122

Molecular Formula: C11H16O2Molecular Weight: 180.243540 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: ONIBHZIXCLTLNO-UHFFFAOYSA-N

• 5-Amino-1-ethylpyrazole
IUPAC Name: 2-ethylpyrazol-3-amine | CAS Registry Number: 3528-58-3
Synonyms: 295760_ALDRICH, 1H-Pyrazol-5-amine, 1-ethyl-, NSC354694, CID337310, SBB005554, ZINC00154804

Molecular Formula: C5H9N3Molecular Weight: 111.145060 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FSJOLBAFVKSQQJ-UHFFFAOYSA-N

• 3-Fluoro-4-Nitrobenzotrifluoride
IUPAC Name: 2-fluoro-1-nitro-4-(trifluoromethyl)benzene | CAS Registry Number: 402-12-0
Synonyms: 3-fluoro-4-nitrobenzotrifluoride, 2-fluoro-1-nitro-4-(trifluoromethyl)benzene, SBB064423, 2-Fluoro-4-(trifluoromethyl)nitrobenzene, PubChem4869, PubChem23846, AC1MWD2A, SureCN113070, CTK8E6631, MolPort-001-775-876, ACT13113, ZINC02513204, AKOS005063752, AC-4141, AG-F-42390, AM61959, AS01755, AK-35048, KB-31842, 2-Fluoro-1-nitro-4-trifluoromethyl-benzene

Molecular Formula: C7H3F4NO2Molecular Weight: 209.097833 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 6

InChIKey: OBWDPLOCTVOTMA-UHFFFAOYSA-N

• 2-Methoxy-4-Methylbenzoic Acid
IUPAC Name: 2-methoxy-4-methylbenzoic acid | CAS Registry Number: 704-45-0
Synonyms: 2-Methoxy-4-methylbenzoic acid, 638684_ALDRICH, AKL-PFB-018913, CID597164

Molecular Formula: C9H10O3Molecular Weight: 166.173900 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: SOWDWUPMHVDZGL-UHFFFAOYSA-N

• 2-Ethyl Phenol
IUPAC Name: 2-ethylphenol | CAS Registry Number: 90-00-6
Synonyms: o-Ethylphenol, Phlorol, Phenol, 2-ethyl-, Phenol, o-ethyl-, o-Ethyl phenol, 2-ETHYLPHENOL, Florol [Czech], Phenol, ethyl-, Ambap74, 1-Ethyl-2-hydroxybenzene, 1-Hydroxy-2-ethylbenzene, ETHYLPHENOL, Benzene, 1-ethyl-2-hydroxy-, CCRIS 6038, E44000_ALDRICH, HSDB 5267, 36609_RIEDEL, SGCUT00114, EINECS 201-958-4, NSC 10112

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

InChIKey: IXQGCWUGDFDQMF-UHFFFAOYSA-N

• 3-Benzoyl Phenyl Acetic Acid
IUPAC Name: 2-[3-(benzoyl)phenyl]acetic acid | CAS Registry Number: 22071-22-3
Synonyms: m-Benzoylphenylacetic acid, 3-Benzoylphenylacetic acid, 3-Benzoylbenzeneacetic acid, (3-Benzoylphenyl)acetic acid, Benzeneacetic acid, 3-benzoyl-, 2-(3-Benzoylphenyl)acetic acid, ACETIC ACID, (m-BENZOYLPHENYL)-, EINECS 244-760-3, CID30931, RU 4462, BRN 2647970, Benzeneacetic acid, 3-benzoyl- (9CI), LS-11060, 19421 R.P, 19421 R.P.

Molecular Formula: C15H12O3Molecular Weight: 240.253980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ALDSXDRDRWDASQ-UHFFFAOYSA-N

• 3,5-Dichloro Benzoyl Chloride
IUPAC Name: 3,5-dichlorobenzoyl chloride | CAS Registry Number: 2905-62-6
Synonyms: 3,5-Dichlorobenzoyl chloride, Benzoyl chloride, 3,5-dichloro-, 296287_ALDRICH, EINECS 220-813-6, ZINC02166928, CID76191, RH-24,299, NCGC00164131-01, LS-42602, SB 01888, InChI=1/C7H3Cl3O/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3

Molecular Formula: C7H3Cl3OMolecular Weight: 209.457120 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: GGHLXLVPNZMBQR-UHFFFAOYSA-N

• 2,3,4,5,6 Pentafluorobenzoic Acid
IUPAC Name: 2,3,4,5,6-pentafluorobenzoic acid | CAS Registry Number: 602-94-8
Synonyms: Pentafluorobenzoic acid, Perfluorobenzoic acid, BENZOIC ACID, PENTAFLUORO-, 2,3,4,5,6-Pentafluorobenzoic acid, P5360_ALDRICH, NCIOpen2_005348, 76700_FLUKA, CHEBI:46796, EINECS 210-026-6, NSC 88337, NSC88337, BRN 2054395, LS-38107, P107, ST5307987, TL8003818, 4-09-00-00956 (Beilstein Handbook Reference)

Molecular Formula: C7HF5O2Molecular Weight: 212.073656 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 7

InChIKey: YZERDTREOUSUHF-UHFFFAOYSA-N

• 5,6-Diamino-4-hydroxy-2-mercaptopyrimidine
IUPAC Name: 5,6-diamino-2-sulfanylidene-1H-pyrimidin-4-one | CAS Registry Number: 1004-76-8
Synonyms: 4,5-Diamino-2-thiouracil, 5,6-Diamino-2-thiouracil, D17807_ALDRICH, 4,5-Diamino-6-hydroxy-2-thiopyrimidine, Uracil, 5,6-diamino-2-thio-, ALD-N037856, NSC45759, EINECS 213-727-5, NSC 45759, ZINC00967309, ZINC01081263, 4,5-Diamino-2-mercaptopyrimidin-6-ol, 4,5-Diamino-2-mercaptopyrimidine-6-ol, 4,5-Diamino-6-hydroxy-2-mercaptopyrimidine, AI3-52253, TL8000054, 5,6-diamino-2-sulfanylpyrimidin-4(3H)-one, Uracil, 5,6-diamino-2-thio- (VAN) (8CI), AC-907/25005461, 4(1H)-Pyrimidinone, 5,6-diamino-2,3-dihydro-2-thioxo-

Molecular Formula: C4H6N4OSMolecular Weight: 158.181640 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 3

InChIKey: QYSWOQHLIDKEOL-UHFFFAOYSA-N

• 3-Amino-5-bromopyridine
IUPAC Name: 5-bromopyridin-3-amine | CAS Registry Number: 13535-01-8
Synonyms: 5-bromopyridin-3-ylamine, TPC-PY107, 667129_ALDRICH, ZINC00331807, CID817681, ST5166224, TL8000827, AC-907/30003012

Molecular Formula: C5H5BrN2Molecular Weight: 173.010600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: MDQXGHBCDCOOSM-UHFFFAOYSA-N

• 5-Bromo-2-pyridinecarboxylic acid
IUPAC Name: 5-bromopyridine-2-carboxylic acid | CAS Registry Number: 30766-11-1
Synonyms: MLS000685988, TPC-PY070, 5-bromopyridine-2-carboxylic acid, 5-Bromo-pyridine-2-carboxylic acid, 5-Bromo-2- Pyridinecarboxylic Acid, CID608544, FS001044, SMR000324863, ST5408679, TL8002364, AC-907/25004491

Molecular Formula: C6H4BrNO2Molecular Weight: 202.005460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MNNQIBXLAHVDDL-UHFFFAOYSA-N

• 3-Acetylbiphenyl
IUPAC Name: 1-[3-(phenoxy)phenyl]ethanone | CAS Registry Number: 32852-92-9
Synonyms: m-Phenoxyacetophenone, 3-Phenoxyacetophenone, 1-(3-Phenoxyphenyl)ethanone, Ethanone, 1-(3-phenoxyphenyl)-, 1-(3-Phenoxyphenyl)ethan-1-one, ACETOPHENONE, 3'-PHENOXY-, EINECS 251-259-3, AIDS191272, AIDS-191272, BRN 2329942, LS-13694

Molecular Formula: C14H12O2Molecular Weight: 212.243880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: FZCDBGYCFVKRDV-UHFFFAOYSA-N

• 1,1-Dibromo-3,3,3-trifluoroacetone
IUPAC Name: 3,3-dibromo-1,1,1-trifluoropropan-2-one | CAS Registry Number: 431-67-4
Synonyms: ZINC04254287, CID550523, 1,1-Dibromo-3,3,3-tetrafluoromethyl-2-propanone

Molecular Formula: C3HBr2F3OMolecular Weight: 269.842650 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: HEPPAPZASXFWTB-UHFFFAOYSA-N

• 2-Amino-3-fluorobutyric acid
IUPAC Name: 2-amino-3-fluorobutanoic acid | CAS Registry Number: 50885-01-3
Synonyms: NSC251686, NSC251812, 2-AMINO-3-FLUOROBUTANOIC ACID

Molecular Formula: C4H8FNO2Molecular Weight: 121.110223 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: HJVQOHDATXHIJL-UHFFFAOYSA-N

• 3,5-Dimethoxy-4-hydroxycinnamic acid
IUPAC Name: (E)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid | CAS Registry Number: 530-59-6
Synonyms: Sinapinic acid, SINAPIC ACID, Sinapate, Synapoic acid, SINAPINATE, MLS001066354, D7927_SIGMA, 49508_FLUKA, 85429_FLUKA, CHEBI:15714, AIDS024970, AIDS-024970, NSC59261, 4-Hydroxy-3,5-dimethoxy-cinnamic acid, SMR000471879, ST5308240, 3-(4-hydroxy-3,5-dimethoxyphenyl)acrylic acid, C00482, CINNAMIC ACID,3,5-DIMETHOXY,4-HYDROXY, 2-Propenoic acid, 3-(4-hydroxy-3,5-dimethoxyphenyl)-

Molecular Formula: C11H12O5Molecular Weight: 224.209980 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 5

InChIKey: PCMORTLOPMLEFB-ONEGZZNKSA-N

• 5-Chloro-2-nitroanisole
IUPAC Name: 4-chloro-2-methoxy-1-nitrobenzene | CAS Registry Number: 6627-53-8
Synonyms: 2-Nitro-5-chloroanisole, Anisole, 2-nitro-5-chloro-, Anisole, 5-chloro-2-nitro-, 4-Chloro-2-methoxynitrobenzene, C58606_ALDRICH, 5-Chloro-2-nitro-1-methoxybenzene, Benzene, 4-chloro-2-methoxy-1-nitro-, NSC60112, EINECS 229-594-1, NSC 60112, ZINC01690006, ST5406281, 6227-53-8

Molecular Formula: C7H6ClNO3Molecular Weight: 187.580440 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ABEUJUYEUCCZQF-UHFFFAOYSA-N

• 2,4-Dimethoxybenzyl alcohol
IUPAC Name: (2,4-dimethoxyphenyl)methanol | CAS Registry Number: 7314-44-5
Synonyms: Benzenemethanol, 2,4-dimethoxy-, 159638_ALDRICH, EINECS 230-775-2, ZINC00164135, AI3-52354, ST5406717

Molecular Formula: C9H12O3Molecular Weight: 168.189780 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: RNKOUSCCPHSCFE-UHFFFAOYSA-N

• 2-Chloroethyl Isocyanate
IUPAC Name: 1-chloro-2-isocyanatoethane | CAS Registry Number: 1943-83-5
Synonyms: Chloroethylisocyanate, 2-Chloroethyl isocyanate, 2-Chloroethylisocyanate, Ethane, 1-chloro-2-isocyanato-, 2-Chlorethylisokyanat [Czech], .beta.-Chloroethylisocyanate, 1-Chloro-2-isocyanatoethane, NSC 87418, 538337_ALDRICH, 23040_FLUKA, EINECS 217-734-4, ISOCYANIC ACID, 2-CHLOROETHYL ESTER, BB_SC-4063, CID16035, NSC87418, BRN 1071429, ZINC01562081, LS-84436, 3-04-00-00245 (Beilstein Handbook Reference)

Molecular Formula: C3H4ClNOMolecular Weight: 105.522960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BCMYXYHEMGPZJN-UHFFFAOYSA-N

• 1-Methylindole
IUPAC Name: 1-methylindole | CAS Registry Number: 603-76-9
Synonyms: N-Methylindole, 1-Methyl-1H-indole, Indole, 1-methyl-, 1H-Indole, 1-methyl-, 1-METHYLINDOLE, Ambap4500, 1-Methylindole (N-), Indole, 1-methyl- (8CI), 193984_ALDRICH, CID11781, EINECS 210-057-5, NSC212534, ZINC01750961, NSC 212534, LS-83245, M-3893, InChI=1/C9H9N/c1-10-7-6-8-4-2-3-5-9(8)10/h2-7H,1H

Molecular Formula: C9H9NMolecular Weight: 131.174460 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: BLRHMMGNCXNXJL-UHFFFAOYSA-N


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