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Dhruvtara chemicals

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Contact: Dr.G.Sridevi
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Profile: Dhruvtara chemicals specializes in the production of fine chemicals. Our product line comprises of 2-amino-3-chlorobenzoic acid, 4-amino-2, 6-dibromophenol, 2-amino-4, 6-dihydroxypyrimidine, 2-aminoethyl methacrylate hydrochloride, 2-amino-6-fluorobenzoic acid and 4-amino-2-methylanisole. We provide 2-bromoresorcinol, 3-buten-2-ol, 4-n-butoxybenzyl bromide, 2-butyn-1-ol, 3-butyn-2-one, camphorequinone, o-carboxyphenylpropionic acid and 4-chlorobutylacetate. We also offer 4-amino-2-methyl-phenol, 4-amino-3-methylphenol, 2-amino-5-methylphenol, 2-amino-3-nitrophenol and 2-aminophenol-n, o-diacetate.

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• Acryloyl Chloride
IUPAC Name: prop-2-enoyl chloride | CAS Registry Number: 814-68-6
Synonyms: Acryloyl chloride, 2-Propenoyl chloride, Propenoyl chloride, ACRYLYL CHLORIDE, Acrylic acid chloride, WLN: GV1U1, A24109_ALDRICH, HSDB 6330, Chlorid kyseliny akrylove [Czech], 549797_ALDRICH, 01780_FLUKA, EINECS 212-399-0, NSC 93770, NSC93770, BRN 0635744, ZINC01609475, LS-14816, TL8005432, InChI=1/C3H3ClO/c1-2-3(4)5/h2H,1H, 4-02-00-01471 (Beilstein Handbook Reference)

Molecular Formula: C3H3ClOMolecular Weight: 90.508320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: HFBMWMNUJJDEQZ-UHFFFAOYSA-N

• Aldehyde C-6
IUPAC Name: hexanal | CAS Registry Number: 66-25-1
Synonyms: HEXANAL, Caproaldehyde, Caproic aldehyde, n-Caproaldehyde, Capronaldehyde, Hexaldehyde, Hexanaldehyde, n-Hexanal, Hexylaldehyde, n-Caproylaldehyde, Hexoic aldehyde, n-Hexaldehyde, 1-Hexanal, n-Capronaldehyde, C6 aldehyde, Hexyl aldehyde, n-Caproic aldehyde, Hexanal (natural), E-2-hexanal, Aldehyde C6

Molecular Formula: C6H12OMolecular Weight: 100.158880 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: JARKCYVAAOWBJS-UHFFFAOYSA-N

• BCECF
IUPAC Name: 2',7'-bis(2-carboxyethyl)-3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxylic acid | CAS Registry Number: 85138-49-4
Synonyms: CID9892881, CID 9892881, 2',7'-bis-(CARBOXYETHYL)-CARBOXY-FLUORESCEIN

Molecular Formula: C27H20O11Molecular Weight: 520.441100 [g/mol]
H-Bond Donor: 5H-Bond Acceptor: 11

InChIKey: DPEZGLOXYHZHIE-UHFFFAOYSA-N

• Benzidine Dihydro Chloride
IUPAC Name: 4-(4-aminophenyl)aniline dihydrochloride | CAS Registry Number: 531-85-1
Synonyms: Benzidine.2HCl, Benzidine hydrochloride, BENZIDINE DIHYDROCHLORIDE, CCRIS 1412, B3383_SIGMA, NSC 3500, 12125_FLUKA, EINECS 208-519-6, Dihidrocloruro de benzidina [Spanish], biphenyl-4,4'-diamine dihydrochloride, 4,4'-Diaminobiphenyl dihydrochloride, LS-191, ST5320084, (1,1'-Biphenyl)-4,4'-diamine, dihydrochloride, BENZIDINE DIHYDROCHLORIDE (SEE ALSO BENZIDINE 92-87-5), 92-87-5

Molecular Formula: C12H14Cl2N2Molecular Weight: 257.158960 [g/mol]
H-Bond Donor: 4H-Bond Acceptor: 2

InChIKey: RUAXWVDEYJEWRY-UHFFFAOYSA-N

• Camphorquinone
IUPAC Name: (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione | CAS Registry Number: 10373-78-1
Synonyms: ()-Camphorquinone, 2,3-Bornanedione, Ambap5942, DL-CAMPHORQUINONE, (1R)-(-)-Camphorquinone, (1R)-bornane-2,3-dione, 124893_ALDRICH, CHEBI:36778, CID641916, ZINC01555410, 1,7,7-Trimethylbicyclo[2.2.1]heptane-2,3-dione, Bicyclo[2.2.1]heptane-2,3-dione, 1,7,7-trimethyl-, (1R)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione, (1R,4S)-1,7,7-trimethylbicyclo[2.2.1]heptane-2,3-dione, InChI=1/C10H14O2/c1-9(2)6-4-5-10(9,3)8(12)7(6)11/h6H,4-5H2,1-3H, 10334-26-6, 465-29-2

Molecular Formula: C10H14O2Molecular Weight: 166.216960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: VNQXSTWCDUXYEZ-LDWIPMOCSA-N

• Chloropyrimidines
IUPAC Name: 2-chloropyrimidine | CAS Registry Number: 1722-12-9
Synonyms: 2-Chloropyrimidine, PYRIMIDINE, 2-CHLORO-, 2-Chloro-4-deoxyuracil, 193291_ALDRICH, AIDS023071, BB_SC-2990, AIDS-023071, NSC43544, EINECS 217-020-2, NSC 43544, ZINC01676249, TL806422, InChI=1/C4H3ClN2/c5-4-6-2-1-3-7-4/h1-3

Molecular Formula: C4H3ClN2Molecular Weight: 114.533020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UNCQVRBWJWWJBF-UHFFFAOYSA-N

• Diphenylzinc
IUPAC Name: zinc benzene | CAS Registry Number: 1078-58-6
Synonyms: Diphenylzink, Zinc, diphenyl-, ZnPh2, DIPHENYL ZINC, 481076_ALDRICH, CHEBI:51499, MolPort-003-934-417, CID517896

Molecular Formula: C12H10ZnMolecular Weight: 219.616800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: BUNROVZNGITPIX-UHFFFAOYSA-N

• EMME (Ethoxy Methylene Malonic Diethyl Ester)
IUPAC Name: diethyl 2-(ethoxymethylidene)propanedioate | CAS Registry Number: 87-13-8
Synonyms: Diethyl EMME, Diethyl ethoxymethylenemalonate, Diethyl (ethoxymethylene)malonate, NCIOpen2_003690, D94208_ALDRICH, 02750_FLUKA, EINECS 201-725-7, NSC9068, Ethoxymethylenemalonic acid diethyl ester, NSC 62117, AIDS017723, AIDS-017723, Diethyl 2-(ethoxymethylene)malonate, NSC62117, TL 1483, BRN 0880058, Ethoxymethylenemalonic acid, ethyl ester, ZINC03860362, Propanedioic acid, (ethoxymethylene)-, diethyl ester, AI3-04025

Molecular Formula: C10H16O5Molecular Weight: 216.231040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: LTMHNWPUDSTBKD-UHFFFAOYSA-N

• Ethyl (S)-2-Oxiranylacetate
IUPAC Name: ethyl 2-[(2S)-oxiran-2-yl]acetate | CAS Registry Number: 112083-63-3
Synonyms: Ethyl (S)-2-oxiranylacetate, Ethyl (S)-oxirane-2-acetate, Ethyl (S)-3,4-epoxybutyrate, (S)-Ethyl 2-(oxiran-2-yl)acetate, AG-D-30940, ETHYL (S)-3,4-EPOXYBUTANOATE, 51241_ALDRICH, 51241_FLUKA, CTK3J5166, Ethyl (2s)-Oxiran-2-Ylacetate, MolPort-019-903-569, ANW-58510, ZINC02581374, ethyl ((S)-3,4-EPOXYBUTANOATE, AK-81481, KB-111563, I14-40373, (S)-Ethyl 2-(oxiran-2-yl)acetate;Oxiraneacetic acid, ethyl ester, (S)-;Oxiraneaceticacid, ethyl ester, (2S)- (9CI);, IXW

Molecular Formula: C6H10O3Molecular Weight: 130.141800 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: WHUSTVAXKRFVPD-YFKPBYRVSA-N

• Fine Chemicals
• Homo Veratronitrile
IUPAC Name: 2-(3,4-dimethoxyphenyl)acetonitrile | CAS Registry Number: 93-17-4
Synonyms: Homoveratronitrile, Veratryl cyanide, VERATRYLCYANIDE, 3,4-Dimethylbenzyl cyanide, 3,4-Dimethoxybenzyl cyanide, 3,4-Dimethoxyphenylacetonitrile, (3,4-Dimethoxyphenyl)acetonitrile, 3,4-Dimethoxybenzylcyanide, Benzeneacetonitrile, 3,4-dimethoxy-, Oprea1_832287, 3,4-Dimethoxybenzeneacetonitrile, WLN: NC1R CO1 DO1, 126349_ALDRICH, IFLab1_000888, Acetonitrile, (3,4-dimethoxyphenyl)-, Acetonitrile, 3,4-(dimethoxyphenyl)-, Acetonitrile, 3,4-dimethoxyphenyl-, NSC 6324, EINECS 202-225-1, NSC6324

Molecular Formula: C10H11NO2Molecular Weight: 177.199840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: ASLSUMISAQDOOB-UHFFFAOYSA-N

• Hydrangin
IUPAC Name: 7-hydroxychromen-2-one | CAS Registry Number: 93-35-6
Synonyms: Umbelliferone, 7-hydroxycoumarin, Skimmetin, 7-Oxycoumarin, Umbelliferon, Hydrangine, Skimmetine, Coumarin, 7-hydroxy-, beta-Umbelliferone, .beta.-Umbelliferone, 7-hydroxycoumarin sulfate, Spectrum2_001962, Spectrum3_000751, 2H-1-Benzopyran-2-one, 7-hydroxy-, 7 HC, 7-Hydroxy-2H-chromen-2-one, CCRIS 3591, BSPBio_002362, H24003_ALDRICH, SPECTRUM231084

Molecular Formula: C9H6O3Molecular Weight: 162.142140 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: ORHBXUUXSCNDEV-UHFFFAOYSA-N

• Hydrazo Benzene
IUPAC Name: 1,2-di(phenyl)hydrazine | CAS Registry Number: 122-66-7
Synonyms: Hydrazobenzene, Hydrazobenzen, N,N'-Bianiline, hydrazodibenzene, Benzene, hydrazodi-, N,N'-Diphenylhydrazine, 1,2-DIPHENYLHYDRAZINE, Hydrazine, 1,2-diphenyl-, Hydrazobenzen [Czech], (sym)-Diphenylhydrazine, 1,1'-Hydrazodibenzene, 1,2-Diphenyldrazine, Hydrazine, diphenyl-, DIPHENYLHYDRAZINE, Benzene, 1,1'-hydrazobis-, RCRA waste no. U109, RCRA waste number U109, WLN: RMMR, Diphenylhydrazine, 1,2-, sym-DIPHENYLHYDRAZINE

Molecular Formula: C12H12N2Molecular Weight: 184.237080 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: YBQZXXMEJHZYMB-UHFFFAOYSA-N

• Indole-2-Carboxylic Acid
IUPAC Name: 1H-indole-2-carboxylic acid | CAS Registry Number: 1477-50-5
Synonyms: 2-Carboxyindole, Indole-2-carboxylic acid, 2-Indolecarboxylic acid, 1H-Indole-2-carboxylic acid, Spectrum_001485, SpecPlus_000676, Spectrum2_000021, Spectrum3_000943, Spectrum4_001042, Spectrum5_001735, I5109_ALDRICH, Oprea1_557882, KBioGR_001304, KBioSS_001965, DivK1c_006772, SPECTRUM1502082, SPBio_000081, INDOLE-2-CARBOXLIC ACID, EINECS 216-030-4, KBio1_001716

Molecular Formula: C9H7NO2Molecular Weight: 161.157380 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 3

InChIKey: HCUARRIEZVDMPT-UHFFFAOYSA-N

• Meldrum's Acid
IUPAC Name: 2,2-dimethyl-1,3-dioxane-4,6-dione | CAS Registry Number: 2033-24-1
Synonyms: Meldrum's acid, Isopropylidene malonate, 2,2-Dimethyl-1,3-dioxane-4,6-dione, cycl-Isopropylidene malonate, 1,3-Dioxane-4,6-dione, 2,2-dimethyl-, Cyclic isopropylidene malonate, 2,2-Dimethyl-4,6-dioxo-m-dioxane, 2,2-Dimethyl-m-dioxane-4,6-dione, 210145_ALDRICH, Malonic acid, cyclic isopropylidene ester, EINECS 217-992-8, NSC 71902, NSC688343, AIDS150666, AIDS-150666, NSC71902, BRN 0117310, ZINC01697324, m-DIOXANE-4,6-DIONE, 2,2-DIMETHYL-, AI3-39039

Molecular Formula: C6H8O4Molecular Weight: 144.125320 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: GXHFUVWIGNLZSC-UHFFFAOYSA-N

• Methyl Benzoyl Formate
IUPAC Name: methyl 2-oxo-2-phenylacetate | CAS Registry Number: 15206-55-0
Synonyms: Methyl benzoylformate, Methyl phenylglyoxylate, Methyl oxophenylacetate, Ambap291, M30507_ALDRICH, methyl 2-oxo-2-phenylacetate, Phenylglyoxylic acid, methyl ester, Phenylglyoxylic acid methyl ester, Glyoxylic acid, phenyl-, methyl ester, EINECS 239-263-3, NSC171206, NSC409881, ZINC02166852, NSC 171206, Benzeneacetic acid, .alpha.-oxo-, methyl ester, AI3-07037, TL8001121, Benzeneacetic acid, alpha-oxo-, methyl ester, 71833-42-6, 81065-82-9

Molecular Formula: C9H8O3Molecular Weight: 164.158020 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: YLHXLHGIAMFFBU-UHFFFAOYSA-N

• Methylcycle-D
IUPAC Name: 2-methylcyclopentane-1,3-dione | CAS Registry Number: 765-69-5
Synonyms: Ambap7217, 2-Methyl-1,3-cyclopentadione, 2-METHYL-1,3-CYCLOPENTANEDIONE, 1,3-Cyclopentanedione, 2-methyl-, 2-Methylcyclopentane-1,3-dione, Benzil-related compound, 46, ghl.PD_Mitscher_leg0.841, 117021_ALDRICH, NSC54458, 66515_FLUKA, CID13005, EINECS 212-153-2, TL8005239, AC-907/25014141

Molecular Formula: C6H8O2Molecular Weight: 112.126520 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HXZILEQYFQYQCE-UHFFFAOYSA-N

• N-cyclohexylhydroxylamine hydrochloride
IUPAC Name: N-cyclohexylhydroxylamine hydrochloride | CAS Registry Number: 25100-12-3
Synonyms: 186465_ALDRICH, Cyclohexylhydroxylamine hydrochloride, EINECS 246-612-3, N-Cyclohexylhydroxylamine hydrochloride, CID3084432

Molecular Formula: C6H14ClNOMolecular Weight: 151.634460 [g/mol]
H-Bond Donor: 3H-Bond Acceptor: 2

InChIKey: SSVAHXZUFFSFER-UHFFFAOYSA-N

• Phenylglyoxylic Acid
IUPAC Name: 2-oxo-2-phenylacetic acid | CAS Registry Number: 611-73-4
Synonyms: Phenylglyoxylic acid, BENZOYLFORMIC ACID, Benzoylformate, Phenylglyoxalate, Phenylglyoxylate, Benzeneglyoxylic acid, Phenylgloxylic acid, Oxophenylacetic acid, Phenyloxoacetic acid, 2-Phenylethanoic acid, oxo(phenyl)acetic acid, 2-Oxo-2-phenylacetic acid, Formic acid, benzoyl-, Glyoxylic acid, phenyl-, 2-Oxo-2-phenylacetate, alpha-Ketophenylacetic acid, Ambap3005, alpha-Oxobenzeneacetic acid, BENZOYL-FORMIC ACID, WLN: QVVR

Molecular Formula: C8H6O3Molecular Weight: 150.131440 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: FAQJJMHZNSSFSM-UHFFFAOYSA-N

• Polyphenylene Oxide
IUPAC Name: 2,5-di(phenyl)-1,3-oxazole | CAS Registry Number: 92-71-7
Synonyms: Tritosol, 2,5-Diphenyloxazole, PPO (scintillator), DPO (scintillator), 2,5-Diphenyl-1,3-oxazole, 2,5-diphenyl-oxazole, OXAZOLE, 2,5-DIPHENYL-, PPO (VAN), PPO (scintillator) (VAN), USAF EK-6775, D210404_ALDRICH, D4630_SIGMA, ARONIS011044, IFLab1_004526, WLN: T5N COJ BR& DR, 43140_FLUKA, EINECS 202-181-3, NSC 24856, NSC24856, NSC49168

Molecular Formula: C15H11NOMolecular Weight: 221.253940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: CNRNYORZJGVOSY-UHFFFAOYSA-N

• Propanal, 2-oxo-, 1-oxime, (1Z)- (9CI)
IUPAC Name: 1-hydroxyiminopropan-2-one | CAS Registry Number: 31915-82-9
Synonyms: 1-hydroxyiminopropan-2-one, 2-oxopropanal oxime, Propanal, 2-oxo-, 1-oxime, (1E)-, AC1O4R1W, Propanal, 2-oxo-,1-oxime, CTK0E4435, CTK4G5519, 17280-41-0, 306-44-5, AG-F-01111, A821059, Pyruvaldehyde,1-oxime (8CI); Pyruvaldehyde, aldoxime (6CI); 2-Oxopropanal 1-oxime;2-Propanone, 1-(hydroxyimino)-; Isonitrosoacetone; MINA; Methylglyoxalaldoxime; Monoisonitrosoacetone; NSC 53172; Pyruvaldoxime; RA 52

Molecular Formula: C3H5NO2Molecular Weight: 87.077300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: OVGLVOLWBBGQHS-UHFFFAOYSA-N

• Pyridinium Chlorochromate
IUPAC Name: hydron; pyridine; trioxochromium; chloride | CAS Registry Number: 26299-14-9
Synonyms: Pyridinium chlorochromate, EINECS 247-595-5, CID160123, Chromate(1-), chlorotrioxo-, (T-4)-, hydrogen, compd. with pyridine(1:1), 68017-35-6, 68499-31-0

Molecular Formula: C5H6ClCrNO3Molecular Weight: 215.555140 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 5

InChIKey: HBDYSKVKXMUPKV-UHFFFAOYSA-N

• Pyridinium Tribromide
IUPAC Name: molecular bromine; pyridine; hydrobromide | CAS Registry Number: 39416-48-3
Synonyms: Pyridinium bromide perbromide, ST5408573

Molecular Formula: C5H6Br3NMolecular Weight: 319.819840 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: VDCLSGXZVUDARN-UHFFFAOYSA-N

• Quinoline-N-oxide hydrate
IUPAC Name: 1-oxidoquinolin-1-ium hydrate | CAS Registry Number: 64201-64-5
Synonyms: Quinoline N-oxide hydrate, Quinoline, 1-oxide, monohydrate, 122327_ALDRICH, CID152363, ST5407507

Molecular Formula: C9H9NO2Molecular Weight: 163.173260 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: CUSWDTBBCIXCRB-UHFFFAOYSA-N

• Salicylanilide
IUPAC Name: 2-hydroxy-N-phenylbenzamide | CAS Registry Number: 87-17-2
Synonyms: SALICYLANILIDE, Salicylanilid, Aseptolan, Salifebrin, Salinidol, Hyanilid, Salinide, Ansadol, Salnide, Shirlan, Shirlan Extra, Sherstat SLN, Shirlan AG, N-Phenylsalicylamide, o-Hydroxybenzanilide, Salicylic acid anilide, Shirlan (VAN), Caswell No. 730, 2-Hydroxybenzanilide, 2-Hydroxy-N-phenylbenzamide

Molecular Formula: C13H11NO2Molecular Weight: 213.231940 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: WKEDVNSFRWHDNR-UHFFFAOYSA-N

• Tetrahydropyran-2-Carboxylic Acid
IUPAC Name: oxane-2-carboxylic acid | CAS Registry Number: 51673-83-7
Synonyms: Tetrahydro-2H-pyran-2-carboxylic acid, TETRAHYDROPYRAN-2-CARBOXYLIC ACID, SBB027215, 2H-3,4,5,6-tetrahydropyran-2-carboxylic acid, Oxane-2-carboxylic Acid, PubChem19589, 2H-Pyran-2-carboxylic acid, tetrahydro-, (R)-, 2H-Pyran-2-carboxylic acid, tetrahydro-, (S)-, ACMC-20m8cx, ACMC-20m8cy, SureCN353811, CTK4J4673, MolPort-000-143-181, ANW-44321, AKOS011495421, AG-F-75172, MCULE-8947688342, RP00938, AK-78817, KB-61527

Molecular Formula: C6H10O3Molecular Weight: 130.141800 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: MQAYFGXOFCEZRW-UHFFFAOYSA-N

• Toluhydroquinone
IUPAC Name: 2-methylbenzene-1,4-diol | CAS Registry Number: 95-71-6
Synonyms: Methylhydroquinone, Toluquinol, p-Toluquinol, Tolylhydroquinone, 2,5-Dihydroxytoluene, p-Toluhydroquinol, p-Toluhydroquinone, Hydroquinone, methyl-, 2,5-Toluenediol, Pyrolin, 2-Methylhydroquinone, Hydroquinone, tolyl-, Methyl-p-hydroquinone, 1,4-Benzenediol, 2-methyl-, 2-Methyl-1,4-benzenediol, 2-methylbenzene-1,4-diol, Ambap4460, THQ (VAN), 2-Methyl-1,4-hydroquinone, METHYL HYDROQUINONE

Molecular Formula: C7H8O2Molecular Weight: 124.137220 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: CNHDIAIOKMXOLK-UHFFFAOYSA-N

• Trans-5-decen-1-ol
IUPAC Name: (E)-dec-5-en-1-ol | CAS Registry Number: 56578-18-8
Synonyms: (E)-5-Decen-1-ol, (E)-5-Decenol, decan-5-en-1-ol, 5-decen-1-ol, 5-Decen-1-ol, (E)-, 5-Decen-1-ol, (5E)-, EINECS 260-267-6, EPA Pesticide Chemical Code 078038, LMFA05000042, SBB008885, ZINC02169460, AI3-34645, NCGC00164122-01, LS-59418

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

InChIKey: WYPQHXVMNVEVEB-AATRIKPKSA-N

• 3-Methyl-4-nitroanisole
IUPAC Name: 4-methoxy-2-methyl-1-nitrobenzene | CAS Registry Number: 5367-32-8
Synonyms: 5-Methoxy-2-nitrotoluene, Anisole, 3-methyl-4-nitro-, 152234_ALDRICH, 36560_RIEDEL, 4-Methoxy-2-methyl-1-nitrobenzene, NSC37985, Benzene, 4-methoxy-2-methyl-1-nitro-, EINECS 226-356-9, ZINC01670353, ST5406579, InChI=1/C8H9NO3/c1-6-5-7(12-2)3-4-8(6)9(10)11/h3-5H,1-2H

Molecular Formula: C8H9NO3Molecular Weight: 167.161960 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: RTZOGYCMIMOVHU-UHFFFAOYSA-N

• 2-Nitroresorcinol
IUPAC Name: 2-nitrobenzene-1,3-diol | CAS Registry Number: 601-89-8
Synonyms: 2-NITRORESORCINOL, Resorcinol, 2-nitro-, Ambap188, 1,3-Benzenediol, 2-nitro-, 2-Nitro-1,3-benzenediol, 1,3-Dihydroxy-2-nitrobenzene, NSC1542, 282847_ALDRICH, CID11760, NSC 1542, EINECS 210-010-9, N105, AI3-52603, AP-065/41884104, InChI=1/C6H5NO4/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3,8-9

Molecular Formula: C6H5NO4Molecular Weight: 155.108200 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 4

InChIKey: ZLCPKMIJYMHZMJ-UHFFFAOYSA-N

• 4-Bromo-2-methylbenzoic acid
IUPAC Name: 4-bromo-2-methylbenzoic acid | CAS Registry Number: 68837-59-2
Synonyms: 665126_ALDRICH, Benzoic acid, 4-bromo-2-methyl-, EINECS 272-437-7, NSC243710, 4-BROMO-2-METHYL-BENZOIC ACID, ST5408748, TL8004827

Molecular Formula: C8H7BrO2Molecular Weight: 215.043980 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: RVCJOGNLYVNRDN-UHFFFAOYSA-N

• 2,4-Dichloroanisole
IUPAC Name: 2,4-dichloro-1-methoxybenzene | CAS Registry Number: 553-82-2
Synonyms: Dichloroanisole, Anisole, 2,4-dichloro-, Benzene, dichloromethoxy-, Benzene, 2,4-dichloro-1-methoxy-, 1,5-Dichloro-2-methoxybenzene, 533661_ALDRICH, 2,4-DICHLORO-1-METHOXYBENZENE, NSC6077, ZINC00403522, Anisole, 2,4-dichloro- (8CI), LTBB003022, CID11119, NSC 6077, EINECS 209-051-5, AI3-16644, S01-0415, InChI=1/C7H6Cl2O/c1-10-7-3-2-5(8)4-6(7)9/h2-4H,1H, 54518-15-9

Molecular Formula: C7H6Cl2OMolecular Weight: 177.027940 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 1

InChIKey: CICQUFBZCADHHX-UHFFFAOYSA-N

• 4-Bromobutyl Acetate
IUPAC Name: 4-bromobutyl acetate | CAS Registry Number: 4753-59-7
Synonyms: 4-Bromobutyl acetate, 4-Bromo-n-butyl acetate, 1-Butanol, 4-bromo-, acetate, 227579_ALDRICH, 1-Butanol, 4-bromo-, 1-acetate, CID78491, NSC33919, EINECS 225-277-7, NSC 33919, ZINC01665969, RH02076

Molecular Formula: C6H11BrO2Molecular Weight: 195.054340 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: UOABIRUEGSGTSA-UHFFFAOYSA-N

• 3,4-Dihydroxy Benzaldehyde
IUPAC Name: 3,4-dihydroxybenzaldehyde | CAS Registry Number: 139-85-5
Synonyms: Protocatechualdehyde, Rancinamycin IV, 3,4-Dihydroxybenzaldehyde, PROTOCATECHUIC ALDEHYDE, Benzaldehyde, 3,4-dihydroxy-, 3,4-Dihydroxybenzenecarbonal, 4-Formyl-1,2-dihydroxybenzene, 3,4-Dihydroxybenzyl aldehyde, 4-Formyl-1,2-benzenediol, 3,4-DHBAOP, MLS000069606, MLS001148401, D108405_ALDRICH, 1,2-Dihydroxy-4-formylbenzene, C7H6O3, MEGxm0_000158, 37520_FLUKA, ACon1_001620, CHEBI:50205, EINECS 205-377-7

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

InChIKey: IBGBGRVKPALMCQ-UHFFFAOYSA-N

• 4-Hydroxyindole
IUPAC Name: 1H-indol-4-ol | CAS Registry Number: 2380-94-1
Synonyms: Hydroxyindole, 4-Indolol, 1H-Indol-4-ol, 4-hydroxyindole, 18, 219878_ALDRICH, EINECS 219-177-2, ZINC00153008, F2313G1, SDCCGMLS-0065859.P001, ST5330636, TL8001968, C02040, H-6000, H-6010

Molecular Formula: C8H7NOMolecular Weight: 133.147280 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: NLMQHXUGJIAKTH-UHFFFAOYSA-N

• 1-Cyanoisoquinoline
IUPAC Name: isoquinoline-1-carbonitrile | CAS Registry Number: 1198-30-7
Synonyms: Isoquinaldonitrile, 1-Isoquinolinecarbonitrile, Maybridge1_002114, 357952_ALDRICH, ZERO/005055, NSC203335, ZINC00112431, AQ-776/40170967, SR-01000635070-1

Molecular Formula: C10H6N2Molecular Weight: 154.168040 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 2

InChIKey: HJHXYSBRTVFEDD-UHFFFAOYSA-N

• 5-hexyn-1-ol
IUPAC Name: hex-5-yn-1-ol | CAS Registry Number: 928-90-5
Synonyms: 5-Hexyn-1-ol, 1-Hydroxy-5-hexyne, Hex-5-yn-1-ol, 302015_ALDRICH, 53105_FLUKA, ZINC01845543, CID70234, SBB015110, H152, AI3-37259, InChI=1/C6H10O/c1-2-3-4-5-6-7/h1,7H,3-6H, 10024-11-0

Molecular Formula: C6H10OMolecular Weight: 98.143000 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: GOQJMMHTSOQIEI-UHFFFAOYSA-N

• 2-Oxo-4-phenyl-butyric acid
IUPAC Name: 2-oxo-4-phenylbutanoic acid | CAS Registry Number: 710-11-2
Synonyms: 2-Oxo-4-phenylbutyric acid, 2-oxo-4-phenylbutanoic acid, Benzenebutanoic acid, alpha-oxo-, AIDS189857, AIDS-189857, EINECS 211-916-7, GL-0706

Molecular Formula: C10H10O3Molecular Weight: 178.184600 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: PPKAIMDMNWBOKN-UHFFFAOYSA-N

• (s)-Pent-4-En-2-Ol
IUPAC Name: pent-4-en-2-ol | CAS Registry Number: 625-31-0
Synonyms: 1-Penten-4-ol, 4-PENTEN-2-OL, 4-Hydroxypent-1-ene, Allyl methyl carbinol, P8807_ALDRICH, 4-[EMTEM-2-OL, NSC65447, 77040_FLUKA, CID12247, EINECS 210-887-8, NSC 65447, AI3-28609, I14-0386, 111957-98-3

Molecular Formula: C5H10OMolecular Weight: 86.132300 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: ZHZCYWWNFQUZOR-UHFFFAOYSA-N

• 3,5-Dibromobenzoic Acid
IUPAC Name: 3,5-dibromobenzoic acid | CAS Registry Number: 618-58-6
Synonyms: 3,5-Dibromobenzoic acid, Maybridge1_003318, BENZOIC ACID, 3,5-DIBROMO-, 411523_ALDRICH, 33960_FLUKA, BRN 1940691, CID12063, LS-36758, ST5319508, TL8003964, 4-09-00-01028 (Beilstein Handbook Reference), InChI=1/C7H4Br2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11

Molecular Formula: C7H4Br2O2Molecular Weight: 279.913460 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 2

InChIKey: SFTFNJZWZHASAQ-UHFFFAOYSA-N

• 2,5-Diacetoxytoluene
IUPAC Name: (4-acetyloxy-2-methylphenyl) acetate | CAS Registry Number: 717-27-1
Synonyms: ZINC00403479, CID4184462, TL8005028

Molecular Formula: C11H12O4Molecular Weight: 208.210580 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 4

InChIKey: KUZVIVNLNXNLAQ-UHFFFAOYSA-N

• 2-Methyl-1-Butene
IUPAC Name: 2-methylbut-1-ene | CAS Registry Number: 563-46-2
Synonyms: Isopentene, 1-Isoamylene, 1-Butene, 2-methyl-, gamma-Isoamylene, 2-Methylbutene, 2-Methylbut-1-ene, Butene, 2-methyl-, 2-METHYL-1-BUTENE, .gamma.-Isoamylene, 1-BUTENE,2-METHYL, 2-Methyl-1-butene, technical, 257486_ALDRICH, 66030_FLUKA, 66035_FLUKA, HSDB 5695, NSC72414, EINECS 209-250-7, EINECS 247-975-0, NSC 72414, UN2371

Molecular Formula: C5H10Molecular Weight: 70.132900 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 0

InChIKey: MHNNAWXXUZQSNM-UHFFFAOYSA-N

• 2-Chloro-2',4'-difluoroacetophenone
IUPAC Name: 2-chloro-1-(2,4-difluorophenyl)ethanone | CAS Registry Number: 51336-94-8
Synonyms: 272507_ALDRICH, ZINC02170283, CID588083, SBB006665, 2-Chloro-1-(2,4-difluorophenyl)ethanone

Molecular Formula: C8H5ClF2OMolecular Weight: 190.574506 [g/mol]
H-Bond Donor: 0H-Bond Acceptor: 3

InChIKey: UENGBOCGGKLVJJ-UHFFFAOYSA-N

• 4-Amino-m-Cresol
IUPAC Name: 4-amino-3-methylphenol | CAS Registry Number: 2835-99-6
Synonyms: 4-Amino-m-cresol, p-Amino-m-cresol, p-Hydroxy-o-toluidine, 4-Amino-3-methylphenol, 3-Methyl-4-aminophenol, 4-Hydroxy-2-methylaniline, m-CRESOL, 4-AMINO-, 4-Hydroxy-o-toluidine, Phenol, 4-amino-3-methyl-, 2-Amino-5-hydroxytoluene, 2-Methyl-4-hydroxyaniline, Ambap4653, WLN: ZR DQ B1, NCIOpen2_000353, 144894_ALDRICH, 08329_FLUKA, EINECS 220-621-2, NSC 72170, NSC72170, BRN 2078803

Molecular Formula: C7H9NOMolecular Weight: 123.152460 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: QGNGOGOOPUYKMC-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

• 4-Chlorobutanal
IUPAC Name: 4-chlorobutan-1-ol | CAS Registry Number: 928-51-8
Synonyms: 4-Chloro-1-butanol, 4-Chlorobutanol, 4-Chlorobutan-1-ol, Tetramethylene chlorohydrin, 4-Chloro-1-butane-ol, 1-BUTANOL, 4-CHLORO-, 4-Chlorbutan-1-ol [German], WLN: Q4G, CCRIS 7507, 278823_ALDRICH, 23960_FLUKA, EINECS 213-175-5, ZERO/004059, NSC 10810, 4-CHLOROBUTANOL-1, 75%, NSC10810, BRN 1731408, ZINC01712476, AI3-14616, FR-0443

Molecular Formula: C4H9ClOMolecular Weight: 108.566660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 1

InChIKey: HXHGULXINZUGJX-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-Amino-5-bromopyrimidine
IUPAC Name: 5-bromopyrimidin-2-amine | CAS Registry Number: 7752-82-1
Synonyms: 5-Bromo-2-pyrimidinamine, 2-Pyrimidinamine, 5-bromo-, 5-bromopyrimidin-2-ylamine, Pyrimidine, 2-amino-5-bromo-, 303526_ALDRICH, NSC27269, SBB000184, ZINC00967319, TL806169, AC-907/25014021, SR-01000639998-1

Molecular Formula: C4H4BrN3Molecular Weight: 173.998660 [g/mol]
H-Bond Donor: 1H-Bond Acceptor: 3

InChIKey: UHRHPPKWXSNZLR-UHFFFAOYSA-N

• 3,4-Dihydroxyphenethyl alcohol
IUPAC Name: 4-(2-hydroxyethyl)benzene-1,2-diol | CAS Registry Number: 10597-60-1
Synonyms: Hydroxytyrosol, dopet, 3,4-Dihydroxyphenylethanol, 2-(3,4-Dihydroxyphenyl)ethanol, beta-3,4-Dihydroxyphenylethyl alcohol, C8H10O3, 1,2-Benzenediol, 4-(2-hydroxyethyl)-, AIDS470832, AIDS-470832, CID82755, LS-171995, ST5437419, C005975

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

InChIKey: JUUBCHWRXWPFFH-UHFFFAOYSA-N

• 4-Ethylresorcinol
IUPAC Name: 4-ethylbenzene-1,3-diol | CAS Registry Number: 2896-60-8
Synonyms: 4-ETHYLRESORCINOL, 6-Ethylresorcinol, Resorcinol, 4-ethyl-, 4-Ethyl-resorcinol, 1,3-Benzenediol, 4-ethyl-, 2,4-Dihydroxy-1-ethylbenzene, 4-ethylbenzene-1,3-diol, 4-Ethyl-1,3-benzenediol, 1,3-Dihydroxy-4-ethylbenzene, E48200_ALDRICH, Resorcinol, 4-ethyl- (8CI), AIDS017767, AIDS-017767, NSC62013, EINECS 220-777-1, NSC 62013, ZINC00404411, ST5331805, TL8002287, InChI=1/C8H10O2/c1-2-6-3-4-7(9)5-8(6)10/h3-5,9-10H,2H2,1H

Molecular Formula: C8H10O2Molecular Weight: 138.163800 [g/mol]
H-Bond Donor: 2H-Bond Acceptor: 2

InChIKey: VGMJYYDKPUPTID-UHFFFAOYSA-N


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