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Search results for: '1312790-52-5'
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7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-ol
Cas Number: 141352-52-5Formula: C9H16O3Molecular weight: 172.22Synonyms: 7,7-dimethyl-6,8-dioxaspiro[3.5]nonan-2-ol | 141352-52-5 | starbld0017094 | SCHEMBL23906168 | AKOS01...SMILES: CC1(OCC2(CC(C2)O)CO1)CInChIKey: GBRYHGHUCVATNZ-UHFFFAOYSA-NInChI: InChI=1S/C9H16O3/c1-8(2)11-5-9(6-12-8)3-7(10)4-9/h7,10H,3-6H2,1-2H3
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1-(3-Chlorophenyl)-5-isopropyl Biguanide Hydrochloride
Cas Number: 1071546-52-5Formula: C11H17Cl2N5Molecular weight: 290.19Synonyms: 1-(3-Chlorophenyl)-5-isopropyl Biguanide Hydrochloride | 1071546-52-5 | UNII-T7S7F9YF99 | (1E)-1-[am...SMILES: CC(C)N=C(N)N=C(N)NC1=CC(=CC=C1)Cl.ClInChIKey: TUBIBEKUWYLPLO-UHFFFAOYSA-NInChI: InChI=1S/C11H16ClN5.ClH/c1-7(2)15-10(13)17-11(14)16-9-5-3-4-8(12)6-9;/h3-7H,1-2H3,(H5,13,14,15,16,17);1H
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N-Ethyl 3-bromo-5-methylbenzenesulfonamide
Cas Number: 951885-52-2Formula: C9H12BrNO2SMolecular weight: 278.2Synonyms: 951885-52-2|3-Bromo-N-ethyl-5-methylbenzenesulfonamide|N-Ethyl 3-bromo-5-methylbenzenesulfonamide|N-...SMILES: CCNS(=O)(=O)C1=CC(=CC(=C1)C)BrInChIKey: DMARLJQSKFGCTP-UHFFFAOYSA-NInChI: InChI=1S/C9H12BrNO2S/c1-3-11-14(12,13)9-5-7(2)4-8(10)6-9/h4-6,11H,3H2,1-2H3
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5-Bromo-2-(trifluoromethoxy)benzaldehyde
Cas Number: 923281-52-1Formula: C8H4BrF3O2Molecular weight: 269Synonyms: 5-bromo-2-(trifluoromethoxy)benzaldehyde|923281-52-1|MFCD03701029|Benzaldehyde, 5-bromo-2-(trifluoro...SMILES: C1=CC(=C(C=C1Br)C=O)OC(F)(F)FInChIKey: IBEWLWBZTHFCPI-UHFFFAOYSA-NInChI: InChI=1S/C8H4BrF3O2/c9-6-1-2-7(5(3-6)4-13)14-8(10,11)12/h1-4H
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Methyl 2-(bromomethyl)-5-chlorobenzoate
Cas Number: 668262-52-0Formula: C9H8BrClO2Molecular weight: 263.52Synonyms: Methyl 2-(bromomethyl)-5-chlorobenzoate|668262-52-0|Methyl 2-bromomethyl-5-chlorobenzoate|METHYL 2-B...SMILES: COC(=O)C1=C(C=CC(=C1)Cl)CBrInChIKey: PVGXSSGKABOXTL-UHFFFAOYSA-NInChI: InChI=1S/C9H8BrClO2/c1-13-9(12)8-4-7(11)3-2-6(8)5-10/h2-4H,5H2,1H3
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(2-Fluoro-5-hydroxyphenyl)boronic acid
Cas Number: 1150114-52-5Formula: C6H6BFO3Molecular weight: 155.92Synonyms: 2-Fluoro-5-hydroxyphenylboronic acid|1150114-52-5|(2-Fluoro-5-hydroxyphenyl)boronic acid|5-Hydroxy-2...SMILES: B(C1=C(C=CC(=C1)O)F)(O)OInChIKey: XXJIHTFTQPUJFM-UHFFFAOYSA-NInChI: InChI=1S/C6H6BFO3/c8-6-2-1-4(9)3-5(6)7(10)11/h1-3,9-11H
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5-Acetamido-2-chlorophenol
Cas Number: 28443-52-9Formula: C8H8ClNO2Molecular weight: 185.6Synonyms: N-(4-Chloro-3-hydroxyphenyl)acetamide|28443-52-9|5-Acetamido-2-chlorophenol|4'-Chloro-3'-hydroxyacet...SMILES: CC(=O)NC1=CC(=C(C=C1)Cl)OInChIKey: FWPNOLFNLHAULD-UHFFFAOYSA-NInChI: InChI=1S/C8H8ClNO2/c1-5(11)10-6-2-3-7(9)8(12)4-6/h2-4,12H,1H3,(H,10,11)
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ethyl 2,6-dichloro-5-cyanopyridine-3-carboxylate
Cas Number: 919354-52-2Formula: C9H6Cl2N2O2Molecular weight: 245.06Synonyms: 919354-52-2|ETHYL 2,6-DICHLORO-5-CYANONICOTINATE|ethyl 2,6-dichloro-5-cyanopyridine-3-carboxylate|MF...SMILES: CCOC(=O)C1=C(N=C(C(=C1)C#N)Cl)ClInChIKey: UDWGETXHCFVFDI-UHFFFAOYSA-NInChI: InChI=1S/C9H6Cl2N2O2/c1-2-15-9(14)6-3-5(4-12)7(10)13-8(6)11/h3H,2H2,1H3
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(3-Chloro-5-hydroxyphenyl)boronic acid(Contains varying amounts of anhydride)
Cas Number: 1214900-52-3Formula: C6H6BClO3Molecular weight: 172.37Synonyms: AB70644 | EN300-2566327 | SY278146 | N12674 | MFCD15143456 | BNQINYYEZBLUKO-UHFFFAOYSA-N | (3-Chloro...SMILES: B(C1=CC(=CC(=C1)Cl)O)(O)OInChIKey: BNQINYYEZBLUKO-UHFFFAOYSA-NInChI: InChI=1S/C6H6BClO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9-11H
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5‐bromo‐2‐methyl‐2h‐indazole‐3‐carbaldehyde
Cas Number: 1251023-52-5Formula: C9H7BrN2OMolecular weight: 239.069Synonyms: 5-Bromo-2-methyl-2H-indazole-3-carbaldehyde|1251023-52-5|5-bromo-2-methylindazole-3-carbaldehyde|MFC...SMILES: CN1C(=C2C=C(C=CC2=N1)Br)C=OInChIKey: LCFUFGSPCPOBCI-UHFFFAOYSA-NInChI: InChI=1S/C9H7BrN2O/c1-12-9(5-13)7-4-6(10)2-3-8(7)11-12/h2-5H,1H3
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3-Benzyloxy-5-chloro-2-methoxypyridine
Cas Number: 1242336-52-2Formula: C13H12ClNO2Molecular weight: 249.7Synonyms: 1242336-52-2|3-(Benzyloxy)-5-chloro-2-methoxypyridine|3-BENZYLOXY-5-CHLORO-2-METHOXYPYRIDINE|5-chlor...SMILES: COC1=C(C=C(C=N1)Cl)OCC2=CC=CC=C2InChIKey: UMXFFXZBNLBAOS-UHFFFAOYSA-NInChI: InChI=1S/C13H12ClNO2/c1-16-13-12(7-11(14)8-15-13)17-9-10-5-3-2-4-6-10/h2-8H,9H2,1H3
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4-Bromo-2-nitro-5-(pentyloxy)aniline
Cas Number: 1255574-52-7Formula: C11H15BrN2O3Molecular weight: 303.2Synonyms: 4-BROMO-2-NITRO-5-(PENTYLOXY)ANILINE|1255574-52-7|4-bromo-2-nitro-5-pentoxyaniline|DTXSID00681494|MF...SMILES: CCCCCOC1=C(C=C(C(=C1)N)[N+](=O)[O-])BrInChIKey: OHZWPVYCXDSWFZ-UHFFFAOYSA-NInChI: InChI=1S/C11H15BrN2O3/c1-2-3-4-5-17-11-7-9(13)10(14(15)16)6-8(11)12/h6-7H,2-5,13H2,1H3
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5-(4-Carboxyphenyl)nicotinic acid
Cas Number: 597565-52-1Formula: C13H9NO4Molecular weight: 243.2Synonyms: 5-(4-CARBOXYPHENYL)NICOTINIC ACID|597565-52-1|5-(4-Carboxyphenyl)pyridine-3-carboxylic acid|5-(4-Car...SMILES: C1=CC(=CC=C1C2=CC(=CN=C2)C(=O)O)C(=O)OInChIKey: DGUGZZHMSXYXGM-UHFFFAOYSA-NInChI: InChI=1S/C13H9NO4/c15-12(16)9-3-1-8(2-4-9)10-5-11(13(17)18)7-14-6-10/h1-7H,(H,15,16)(H,17,18)
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ethyl 6-chloro-5-methylpyrimidine-4-carboxylate
Cas Number: 1232059-52-7Formula: C8H9ClN2O2Molecular weight: 200.622Synonyms: ETHYL 6-CHLORO-5-METHYLPYRIMIDINE-4-CARBOXYLATE|1232059-52-7|MFCD17215889|4-Pyrimidinecarboxylic aci...SMILES: CCOC(=O)C1=C(C(=NC=N1)Cl)CInChIKey: CRWGVNPMHWCPJG-UHFFFAOYSA-NInChI: InChI=1S/C8H9ClN2O2/c1-3-13-8(12)6-5(2)7(9)11-4-10-6/h4H,3H2,1-2H3
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5-Methylisoxazole-3-carboxamide
Cas Number: 3445-52-1Formula: C5H6N2O2Molecular weight: 126.11Synonyms: 5-Methylisoxazole-3-carboxamide|3445-52-1|5-methyl-1,2-oxazole-3-carboxamide|3-Carbamoyl-5-methyliso...SMILES: CC1=CC(=NO1)C(=O)NInChIKey: KBOSIRPMGVGOEP-UHFFFAOYSA-NInChI: InChI=1S/C5H6N2O2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3,(H2,6,8)
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methyl 4-bromo-5-methylpyridine-2-carboxylate
Cas Number: 1256813-52-1Formula: C8H8BrNO2Molecular weight: 230.06Synonyms: D82594 | MFCD18258411 | AKOS016011976 | 1256813-52-1 | CS-0152864 | DTXSID90849480 | Methyl4-bromo-5...SMILES: CC1=CN=C(C=C1Br)C(=O)OCInChIKey: OVHCOFRZUHVMIR-UHFFFAOYSA-NInChI: InChI=1S/C8H8BrNO2/c1-5-4-10-7(3-6(5)9)8(11)12-2/h3-4H,1-2H3
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5-Bromo-2-isopropoxybenzonitrile
Cas Number: 515832-52-7Formula: C10H10BrNOMolecular weight: 240.1Synonyms: 5-bromo-2-isopropoxybenzonitrile|515832-52-7|5-Bromo-2-Isopropoxy-Benzonitrile|5-bromo-2-propan-2-yl...SMILES: CC(C)OC1=C(C=C(C=C1)Br)C#NInChIKey: YRPPYKWHWKFYGJ-UHFFFAOYSA-NInChI: InChI=1S/C10H10BrNO/c1-7(2)13-10-4-3-9(11)5-8(10)6-12/h3-5,7H,1-2H3
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2-Isopropylthio-5-trifluoromethylpyridine-3-boronic acid
Cas Number: 1256345-52-4Formula: C9H11BF3NO2SMolecular weight: 265.1Synonyms: 1256345-52-4|2-Isopropylthio-5-trifluoromethylpyridine-3-boronic acid|(2-(Isopropylthio)-5-(trifluor...SMILES: B(C1=CC(=CN=C1SC(C)C)C(F)(F)F)(O)OInChIKey: ZOSAPDINOGIVGV-UHFFFAOYSA-NInChI: InChI=1S/C9H11BF3NO2S/c1-5(2)17-8-7(10(15)16)3-6(4-14-8)9(11,12)13/h3-5,15-16H,1-2H3
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5-Fluoro-2-(trifluoromethyl)phenylacetic acid
Cas Number: 239135-52-5Formula: C9H6F4O2Molecular weight: 222.14Synonyms: 5-Fluoro-2-(Trifluoromethyl)Phenylacetic Acid|239135-52-5|2-[5-fluoro-2-(trifluoromethyl)phenyl]acet...SMILES: C1=CC(=C(C=C1F)CC(=O)O)C(F)(F)FInChIKey: GWWZRGDMAFXULO-UHFFFAOYSA-NInChI: InChI=1S/C9H6F4O2/c10-6-1-2-7(9(11,12)13)5(3-6)4-8(14)15/h1-3H,4H2,(H,14,15)
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N-Methyl 3-bromo-5-nitrobenzamide
Cas Number: 90050-52-5Formula: C8H7BrN2O3Molecular weight: 259.1Synonyms: 3-Bromo-N-methyl-5-nitrobenzamide|90050-52-5|N-Methyl 3-bromo-5-nitrobenzamide|SCHEMBL583571|DTXSID4...SMILES: CNC(=O)C1=CC(=CC(=C1)Br)[N+](=O)[O-]InChIKey: HDFRUPQKYIBRNL-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrN2O3/c1-10-8(12)5-2-6(9)4-7(3-5)11(13)14/h2-4H,1H3,(H,10,12)
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METHYL 5-BROMO-2-HYDROXY-4-METHOXYBENZOATE
Cas Number: 39503-52-1Formula: C9H9BrO4Molecular weight: 261.074Synonyms: methyl 5-bromo-2-hydroxy-4-methoxybenzoate|39503-52-1|5-bromo-2-hydroxy-4-methoxybenzoic acid methyl...SMILES: COC1=C(C=C(C(=C1)O)C(=O)OC)BrInChIKey: WLCVGKZBHDBQJN-UHFFFAOYSA-NInChI: InChI=1S/C9H9BrO4/c1-13-8-4-7(11)5(3-6(8)10)9(12)14-2/h3-4,11H,1-2H3
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methyl3-bromo-5-fluorobenzoate
Cas Number: 334792-52-8Formula: C8H6BrFO2Molecular weight: 233.04Synonyms: METHYL 3-BROMO-5-FLUOROBENZOATE|334792-52-8|MFCD07780735|3-BROMO-5-FLUOROBENZOIC ACID METHYL ESTER|B...SMILES: COC(=O)C1=CC(=CC(=C1)Br)FInChIKey: JERAACCIOWRRQA-UHFFFAOYSA-NInChI: InChI=1S/C8H6BrFO2/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4H,1H3
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Piperonylacetone
Cas Number: 55418-52-5Formula: C11H12O3Molecular weight: 192.21Synonyms: PIPERONYL ACETONE|55418-52-5|Piperonylacetone|4-(3,4-Methylenedioxyphenyl)-2-butanone|4-(1,3-Benzodi...SMILES: CC(=O)CCC1=CC2=C(C=C1)OCO2InChIKey: TZJLGGWGVLADDN-UHFFFAOYSA-NInChI: InChI=1S/C11H12O3/c1-8(12)2-3-9-4-5-10-11(6-9)14-7-13-10/h4-6H,2-3,7H2,1H3
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