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Benzoic acid esters
Description:
Ester derivatives of benzoic acid.
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Methyl 4-(butylamino)benzoateCas Number: 71839-12-8 Compound CID: 12045722Formula: C12H17NO2 Molecular Weight: 207.27IUPAC Name: methyl 4-(butylamino)benzoateSMILES: CCCCNC1=CC=C(C=C1)C(=O)OCInChIKey: IHRPJNDVWBJCEH-UHFFFAOYSA-NInChI: InChI=1S/C12H17NO2/c1-3-4-9-13-11-7-5-10(6-8-11)12(14)15-2/h5-8,13H,3-4,9H2,1-2H3Synonyms: N-Butyl-4-(methoxycarbonyl)aniline -
Methyl 4-amino-3-(trifluoromethoxy)benzoateCas Number: 457097-93-7 Compound CID: 53419671Formula: C9H8F3NO3 Molecular Weight: 235.16IUPAC Name: methyl 4-amino-3-(trifluoromethoxy)benzoateSMILES: COC(=O)C1=CC(=C(C=C1)N)OC(F)(F)FInChIKey: VOZICRAZVBGCNM-UHFFFAOYSA-NInChI: InChI=1S/C9H8F3NO3/c1-15-8(14)5-2-3-6(13)7(4-5)16-9(10,11)12/h2-4H,13H2,1H3
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4-Amino-2-methylbenzoic acid ethyl esterCas Number: 74450-59-2 Compound CID: 24721080Formula: C10H13NO2 Molecular Weight: 179.22IUPAC Name: ethyl 4-amino-2-methylbenzoateSMILES: CCOC(=O)C1=C(C=C(C=C1)N)CInChIKey: RXVUWRNRNRPYMT-UHFFFAOYSA-NInChI: InChI=1S/C10H13NO2/c1-3-13-10(12)9-5-4-8(11)6-7(9)2/h4-6H,3,11H2,1-2H3
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Benzyl 3-hydroxybenzoateCas Number: 77513-40-7 Compound CID: 11736317Formula: C14H12O3 Molecular Weight: 228.24IUPAC Name: benzyl 3-hydroxybenzoateSMILES: C1=CC=C(C=C1)COC(=O)C2=CC(=CC=C2)OInChIKey: QCLMZTCDRVMSHA-UHFFFAOYSA-NInChI: InChI=1S/C14H12O3/c15-13-8-4-7-12(9-13)14(16)17-10-11-5-2-1-3-6-11/h1-9,15H,10H2
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5-Cyano-2-Fluorobenzoic Acid Methyl EsterIUPAC Name: methyl 5-cyano-2-fluorobenzoateSMILES: COC(=O)C1=C(C=CC(=C1)C#N)FInChIKey: ZIQLDZYJUIPASJ-UHFFFAOYSA-NInChI: InChI=1S/C9H6FNO2/c1-13-9(12)7-4-6(5-11)2-3-8(7)10/h2-4H,1H3
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3,5-Bis(methoxycarbonyl)benzoic acidCas Number: 38588-64-6Formula: C11H10O6 Molecular Weight: 238.19IUPAC Name: 3,5-bis(methoxycarbonyl)benzoic acidSMILES: COC(=O)C1=CC(=CC(=C1)C(=O)O)C(=O)OCInChIKey: OGZWRRQXMPHWIZ-UHFFFAOYSA-NInChI: InChI=1S/C11H10O6/c1-16-10(14)7-3-6(9(12)13)4-8(5-7)11(15)17-2/h3-5H,1-2H3,(H,12,13)
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3-(bromomethyl)benzoic acid ethyl esterCas Number: 62290-17-9 Compound CID: 10857675Formula: C10H11BrO2 Molecular Weight: 243.1IUPAC Name: ethyl 3-(bromomethyl)benzoateSMILES: CCOC(=O)C1=CC=CC(=C1)CBrInChIKey: DFHLEVVOQATPLA-UHFFFAOYSA-NInChI: InChI=1S/C10H11BrO2/c1-2-13-10(12)9-5-3-4-8(6-9)7-11/h3-6H,2,7H2,1H3
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2，4-Difluoro-3-(methoxycarbonyl)phenylboronic acidCas Number: 1190989-12-8 Compound CID: 44247916Formula: C8H7BF2O4 Molecular Weight: 215.95IUPAC Name: (2,4-difluoro-3-methoxycarbonylphenyl)boronic acidSMILES: B(C1=C(C(=C(C=C1)F)C(=O)OC)F)(O)OInChIKey: DAXRETVCZVZSNS-UHFFFAOYSA-NInChI: InChI=1S/C8H7BF2O4/c1-15-8(12)6-5(10)3-2-4(7(6)11)9(13)14/h2-3,13-14H,1H3
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2，2，2-Trichloroethyl 3，5-DihydroxybenzoateCas Number: 143330-91-0 Compound CID: 15424223Formula: C9H7Cl3O4 Molecular Weight: 285.5IUPAC Name: 2,2,2-trichloroethyl 3,5-dihydroxybenzoateSMILES: C1=C(C=C(C=C1O)O)C(=O)OCC(Cl)(Cl)ClInChIKey: UJFDPTHAQUCMRW-UHFFFAOYSA-NInChI: InChI=1S/C9H7Cl3O4/c10-9(11,12)4-16-8(15)5-1-6(13)3-7(14)2-5/h1-3,13-14H,4H2
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2-Oxoethyl benzoateCas Number: 64904-47-8 Compound CID: 11817258IUPAC Name: 2,2-diethoxyethyl benzoateSMILES: CCOC(COC(=O)C1=CC=CC=C1)OCCInChIKey: QFKKHAZEIWDXRZ-UHFFFAOYSA-NInChI: InChI=1S/C13H18O4/c1-3-15-12(16-4-2)10-17-13(14)11-8-6-5-7-9-11/h5-9,12H,3-4,10H2,1-2H3
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2-Ethylhexyl 4-aminobenzoateCas Number: 26218-04-2 Compound CID: 11436614Formula: C15H23NO2 Molecular Weight: 249.35IUPAC Name: 2-ethylhexyl 4-aminobenzoateSMILES: CCCCC(CC)COC(=O)C1=CC=C(C=C1)NInChIKey: ZJQXUTDROPGVLH-UHFFFAOYSA-NInChI: InChI=1S/C15H23NO2/c1-3-5-6-12(4-2)11-18-15(17)13-7-9-14(16)10-8-13/h7-10,12H,3-6,11,16H2,1-2H3
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tert-Butyl 5-bromo-2-chlorobenzoateCas Number: 503555-23-5 Compound CID: 22291846Formula: C11H12BrClO2 Molecular Weight: 291.57IUPAC Name: tert-butyl 5-bromo-2-chlorobenzoateSMILES: CC(C)(C)OC(=O)C1=C(C=CC(=C1)Br)ClInChIKey: JKAXJUVESNNXEG-UHFFFAOYSA-NInChI: InChI=1S/C11H12BrClO2/c1-11(2,3)15-10(14)8-6-7(12)4-5-9(8)13/h4-6H,1-3H3
