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Search results for: '2040-04-2'
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N-Methyl-2-(trifluoromethoxy)aniline
Cas Number: 175278-04-3Formula: C8H8F3NOMolecular weight: 191.2Synonyms: N-methyl-2-(trifluoromethoxy)aniline|175278-04-3|n1-methyl-2-(trifluoromethoxy)aniline|Benzenamine, ...SMILES: CNC1=CC=CC=C1OC(F)(F)FInChIKey: VMEUCSINSIZDPO-UHFFFAOYSA-NInChI: InChI=1S/C8H8F3NO/c1-12-6-4-2-3-5-7(6)13-8(9,10)11/h2-5,12H,1H3
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3-Bromo-2-isopropoxyphenylboronic acid
Cas Number: 870718-04-0Formula: C9H12BBrO3Molecular weight: 258.91Synonyms: 3-Bromo-2-isopropoxyphenylboronic acid|870718-04-0|(3-Bromo-2-isopropoxyphenyl)boronic acid|(3-bromo...SMILES: B(C1=C(C(=CC=C1)Br)OC(C)C)(O)OInChIKey: FKHTXEIXJGJOCH-UHFFFAOYSA-NInChI: InChI=1S/C9H12BBrO3/c1-6(2)14-9-7(10(12)13)4-3-5-8(9)11/h3-6,12-13H,1-2H3
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cis-2-Octene
Cas Number: 7642-04-8Formula: C8H16Molecular weight: 112.22Synonyms: (Z)-Oct-2-ene | NSC 244460 | NSC66572 | NSC-66572 | DivK1c_006515 | AKOS006228003 | 2-OCTENE | 4-04-...SMILES: CCCCCC=CCInChIKey: ILPBINAXDRFYPL-HYXAFXHYSA-NInChI: InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3-
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6-Hydroxypyridine-2-boronic acid pinacol ester
Cas Number: 1310405-04-9Formula: C11H16BNO3Molecular weight: 221.06Synonyms: DS-4625 | AB45604 | 6-Hydroxypyridine-2-boronic acid pinacol ester | SY031730 | FT-0724720 | SCHEMBL...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC(=O)N2InChIKey: MKKJTADNAAPSQP-UHFFFAOYSA-NInChI: InChI=1S/C11H16BNO3/c1-10(2)11(3,4)16-12(15-10)8-6-5-7-9(14)13-8/h5-7H,1-4H3,(H,13,14)
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2-(3,4-Epoxycyclohexyl)ethyltrimethoxysilane
Cas Number: 3388-04-3Formula: C11H22O4SiMolecular weight: 246.38Synonyms: 7-Oxabicyclo[4.1.0]heptane, 3-[2-(trimethoxysilyl)ethyl]- | AI3-52751 | beta-(3,4-Epoxycyclohexyl)et...SMILES: CO[Si](CCC1CCC2C(C1)O2)(OC)OCInChIKey: DQZNLOXENNXVAD-UHFFFAOYSA-NInChI: InChI=1S/C11H22O4Si/c1-12-16(13-2,14-3)7-6-9-4-5-10-11(8-9)15-10/h9-11H,4-8H2,1-3H3
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Mesotrione
Cas Number: 104206-82-8Formula: C14H13NO7SMolecular weight: 339.32Synonyms: Callisto herbicide | NCGC00163843-04 | Q409390 | 2-Nitro-4-(methylsulfonyl)benzoicacid | 48TR68G21T ...SMILES: CS(=O)(=O)C1=CC(=C(C=C1)C(=O)C2C(=O)CCCC2=O)[N+](=O)[O-]InChIKey: KPUREKXXPHOJQT-UHFFFAOYSA-NInChI: InChI=1S/C14H13NO7S/c1-23(21,22)8-5-6-9(10(7-8)15(19)20)14(18)13-11(16)3-2-4-12(13)17/h5-7,13H,2-4H2,1H3
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2-Chloro-5-methylthiobenzotrifluoride
Cas Number: 957066-04-5Formula: C8H6ClF3SMolecular weight: 226.6Synonyms: 2-Chloro-5-methylthiobenzotrifluoride|957066-04-5|(4-chloro-3-(trifluoromethyl)phenyl)(methyl)sulfan...SMILES: CSC1=CC(=C(C=C1)Cl)C(F)(F)FInChIKey: VQFCKGHPKGUMLI-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClF3S/c1-13-5-2-3-7(9)6(4-5)8(10,11)12/h2-4H,1H3
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2-Fluoro-5-(methoxycarbonyl)benzeneboronic acid(contains varying amounts of Anhydride)
Cas Number: 850568-04-6Formula: C8H8BFO4Molecular weight: 197.96Synonyms: 850568-04-6|2-Fluoro-5-(methoxycarbonyl)phenylboronic acid|(2-Fluoro-5-(methoxycarbonyl)phenyl)boron...SMILES: B(C1=C(C=CC(=C1)C(=O)OC)F)(O)OInChIKey: MSASJWBQVSRTOE-UHFFFAOYSA-NInChI: InChI=1S/C8H8BFO4/c1-14-8(11)5-2-3-7(10)6(4-5)9(12)13/h2-4,12-13H,1H3
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xamoterol, Beta-1 adrenergic receptor partial agonist
Cas Number: 81801-12-9 EC Number: 277-319-9Synonyms: Corwin | AB00514723 | 1,4-Phenylenediamine 2-hydrochloride | Xamoterolum | DTXCID6025222 | Prestwick...SMILES: C1COCCN1C(=O)NCCNCC(COC2=CC=C(C=C2)O)OInChIKey: DXPOSRCHIDYWHW-UHFFFAOYSA-NInChI: InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)
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(6-bromo-8-fluoro-3-quinolyl)methanol
Cas Number: 2306262-04-2Formula: C10H7NOFBrMolecular weight: 256.07Synonyms: (6-bromo-8-fluoro-3-quinolyl)methanol | 2306262-04-2 | (6-Bromo-8-fluoroquinolin-3-yl)methanol | sta...SMILES: C1=C2C=C(C=NC2=C(C=C1Br)F)COInChIKey: KUHACVFPLLNEQL-UHFFFAOYSA-NInChI: InChI=1S/C10H7BrFNO/c11-8-2-7-1-6(5-14)4-13-10(7)9(12)3-8/h1-4,14H,5H2
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Anabasine
Cas Number: 13078-04-1Formula: C10H14N2Molecular weight: 162.23Synonyms: 3-(piperidin-2-yl)pyridine|13078-04-1|Anabasine|(+/-)-Anabasine|3-piperidin-2-ylpyridine|(+-)-Anabas...SMILES: C1CCNC(C1)C2=CN=CC=C2InChIKey: MTXSIJUGVMTTMU-UHFFFAOYSA-NInChI: InChI=1S/C10H14N2/c1-2-7-12-10(5-1)9-4-3-6-11-8-9/h3-4,6,8,10,12H,1-2,5,7H2
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2-Chloropyridine-4-carbohydrazide
Cas Number: 58481-04-2Formula: C6H6ClN3OMolecular weight: 171.58Synonyms: 58481-04-2|2-Chloro-isonicotinic acid hydrazide|2-chloroisonicotinohydrazide|2-chloropyridine-4-carb...SMILES: C1=CN=C(C=C1C(=O)NN)ClInChIKey: MZIIYNBBSHJOLD-UHFFFAOYSA-NInChI: InChI=1S/C6H6ClN3O/c7-5-3-4(1-2-9-5)6(11)10-8/h1-3H,8H2,(H,10,11)
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2-(2-pyridyloxy)acetic acid;2,2,2-trifluoroacetic acid
Cas Number: 2231675-04-8Synonyms: 2231675-04-8 | 2-(2-pyridyloxy)acetic acid | 2,2,2-trifluoroacetic acid | 2-(2-Pyridyloxy)acetic aci...SMILES: C1=CC=NC(=C1)OCC(=O)O.C(=O)(C(F)(F)F)OInChIKey: XMCBFJHFDHWWBH-UHFFFAOYSA-NInChI: InChI=1S/C7H7NO3.C2HF3O2/c9-7(10)5-11-6-3-1-2-4-8-6;3-2(4,5)1(6)7/h1-4H,5H2,(H,9,10);(H,6,7)
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Cysteamine Hydrochloride, Cystine reducing agent
Formula: C2H7NS•HClMolecular weight: 113.61Synonyms: 2-Aminoethanethiol hydrochloride | 2-amino-ethanethiol hydrochloride | Cysteamine hydrochloride (USA...SMILES: C(CS)N.ClInChIKey: OGMADIBCHLQMIP-UHFFFAOYSA-NInChI: InChI=1S/C2H7NS.ClH/c3-1-2-4;/h4H,1-3H2;1H
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alprenolol, Antagonist of β 2-adrenoceptor
Cas Number: 13655-52-2Synonyms: A903070 | Alpheprol | Alprenololum [INN-Latin] | KBioSS_000648 | NCGC00015099-09 | NSC 759561 | NCGC...SMILES: C=CCc1ccccc1OCC(CNC(C)C)OInChIKey: PAZJSJFMUHDSTF-UHFFFAOYSA-NInChI: InChI=1S/C15H23NO2/c1-4-7-13-8-5-6-9-15(13)18-11-14(17)10-16-12(2)3/h4-6,8-9,12,14,16-17H,1,7,10-11H2,2-3H3
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methyl 2-bromo-3-iodobenzoate
Cas Number: 1261797-04-9 EC Number: 816-778-7Formula: C8H6BrIO2Molecular weight: 340.94Synonyms: CS-0168152 | 1261797-04-9 | methyl2-bromo-3-iodobenzoate | Benzoic acid, 2-bromo-3-iodo-, methyl est...SMILES: COC(=O)C1=C(C(=CC=C1)I)BrInChIKey: JPSAQWAATAFSOK-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrIO2/c1-12-8(11)5-3-2-4-6(10)7(5)9/h2-4H,1H3
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Methyl tiglate
Cas Number: 41725-90-0Formula: C6H10O2Molecular weight: 114.14Synonyms: methyl (E)-2-methylbut-2-enoate | Methyl alpha-methylcrotonate | Methyl trans-2-methylcrotonate | NS...SMILES: CC=C(C)C(=O)OCInChIKey: YYJWBYNQJLBIGS-SNAWJCMRSA-NInChI: InChI=1S/C6H10O2/c1-4-5(2)6(7)8-3/h4H,1-3H3/b5-4+
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5-bromo-2-(trifluoromethyl)pyridine-4-carbonitrile
Cas Number: 1070892-04-4 EC Number: 841-741-7Formula: C7H2N2F3BrMolecular weight: 251Synonyms: SY261281 | 1070892-04-4 | AKOS016006671 | SCHEMBL2992371 | 5-bromo-2-(trifluoromethyl)isonicotinonit...SMILES: C1=C(C(=CN=C1C(F)(F)F)Br)C#NInChIKey: XBGQKEABZCTRRT-UHFFFAOYSA-NInChI: InChI=1S/C7H2BrF3N2/c8-5-3-13-6(7(9,10)11)1-4(5)2-12/h1,3H
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5-Amino-2-fluoro-4-methylbenzonitrile
Cas Number: 1426136-04-0Formula: C8H7FN2Molecular weight: 150.15Synonyms: 5-amino-2-fluoro-4-methylbenzonitrile|1426136-04-0|MFCD28131807|SCHEMBL14738361|GPWZGVIWTGDEMY-UHFFF...SMILES: CC1=CC(=C(C=C1N)C#N)FInChIKey: GPWZGVIWTGDEMY-UHFFFAOYSA-NInChI: InChI=1S/C8H7FN2/c1-5-2-7(9)6(4-10)3-8(5)11/h2-3H,11H2,1H3
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3,4-Diamino-2-methoxypyridine
Cas Number: 33631-04-8Formula: C9H9N3OMolecular weight: 139.15Synonyms: 2-methoxypyridine-3,4-diamine|33631-04-8|3,4-DIAMINO-2-METHOXYPYRIDINE|MFCD10574697|2-methoxy-3,4-di...SMILES: COC1=NC=CC(=C1N)NInChIKey: YAIFNSSQKVRCSO-UHFFFAOYSA-NInChI: InChI=1S/C6H9N3O/c1-10-6-5(8)4(7)2-3-9-6/h2-3H,8H2,1H3,(H2,7,9)
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8-bromo-3-fluoro-imidazo[1,2-a]pyridine-2-carboxylic acid
Cas Number: 2306276-04-8Formula: C8H4N2O2FBrMolecular weight: 259.03Synonyms: 2306276-04-8 | 8-bromo-3-fluoro-imidazo[1,2-a]pyridine-2-carboxylic acid | 8-Bromo-3-fluoroimidazo[1...SMILES: C1=CN2C(=C(N=C2C(=C1)Br)C(=O)O)FInChIKey: KDNHENPDVVSMTN-UHFFFAOYSA-NInChI: InChI=1S/C8H4BrFN2O2/c9-4-2-1-3-12-6(10)5(8(13)14)11-7(4)12/h1-3H,(H,13,14)
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2-(Aminomethyl)phenylboronic acid, pinacol ester
Cas Number: 248274-04-6Formula: C13H20BNO2Molecular weight: 233.1Synonyms: 248274-04-6|(2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanamine|[2-(4,4,5,5-Tetrameth...SMILES: B1(OC(C(O1)(C)C)(C)C)C2=CC=CC=C2CNInChIKey: QHGKJHOITXTFBC-UHFFFAOYSA-NInChI: InChI=1S/C13H20BNO2/c1-12(2)13(3,4)17-14(16-12)11-8-6-5-7-10(11)9-15/h5-8H,9,15H2,1-4H3
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2-Amino-1,3-thiazole-5-carboxamide
Cas Number: 52499-04-4Formula: C4H5N3OSMolecular weight: 143.2Synonyms: 52499-04-4|2-amino-1,3-thiazole-5-carboxamide|2-Aminothiazole-5-carboxamide|5-Thiazolecarboxamide,2-...SMILES: C1=C(SC(=N1)N)C(=O)NInChIKey: NQXGKSIKPATTNC-UHFFFAOYSA-NInChI: InChI=1S/C4H5N3OS/c5-3(8)2-1-7-4(6)9-2/h1H,(H2,5,8)(H2,6,7)
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Pyrazine-2-thiocarboxamide
Cas Number: 4604-72-2Formula: C5H5N3SMolecular weight: 139.18Synonyms: BRN 0002638 | JI046KHA6S | NSC18377 | NSC-18377 | BB 0216583 | F2147-0547 | pyrazine carbothioamide ...SMILES: C1=CN=C(C=N1)C(=S)NInChIKey: LIURPUMROGYCLW-UHFFFAOYSA-NInChI: InChI=1S/C5H5N3S/c6-5(9)4-3-7-1-2-8-4/h1-3H,(H2,6,9)
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