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Benzoic acid esters
Description:
Ester derivatives of benzoic acid.
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Methyl 2-amino-4-bromo-6-fluorobenzoateCas Number: 1698028-23-7 Compound CID: 92133872Formula: C8H7BrFNO2 Molecular Weight: 248.05IUPAC Name: methyl 2-amino-4-bromo-6-fluorobenzoateSMILES: COC(=O)C1=C(C=C(C=C1F)Br)NInChIKey: RBMIFLUDJHVUDS-UHFFFAOYSA-NInChI: InChI=1S/C8H7BrFNO2/c1-13-8(12)7-5(10)2-4(9)3-6(7)11/h2-3H,11H2,1H3 -
Methyl 4-(3-(dimethylamino)acryloyl)benzoateCas Number: 114431-72-0 Compound CID: 10561611Formula: C13H15NO3 Molecular Weight: 233.26IUPAC Name: methyl 4-[(E)-3-(dimethylamino)prop-2-enoyl]benzoateSMILES: CN(C)C=CC(=O)C1=CC=C(C=C1)C(=O)OCInChIKey: LRDCVLADWWVIHL-CMDGGOBGSA-NInChI: InChI=1S/C13H15NO3/c1-14(2)9-8-12(15)10-4-6-11(7-5-10)13(16)17-3/h4-9H,1-3H3/b9-8+
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Methyl 3-fluoro-2-iodobenzoateCas Number: 393-78-2 Compound CID: 67117181Formula: C8H6O2FI Molecular Weight: 280.03IUPAC Name: methyl 3-fluoro-2-iodobenzoateSMILES: COC(=O)C1=C(C(=CC=C1)F)IInChIKey: WKJSLNJIWQBQBV-UHFFFAOYSA-NInChI: InChI=1S/C8H6FIO2/c1-12-8(11)5-3-2-4-6(9)7(5)10/h2-4H,1H3
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Methyl 2，4，5-triamino-3-fluorobenzoateCas Number: 918321-27-4 Compound CID: 59365495Formula: C8H10FN3O2 Molecular Weight: 199.18IUPAC Name: methyl 2,4,5-triamino-3-fluorobenzoateSMILES: COC(=O)C1=CC(=C(C(=C1N)F)N)NInChIKey: RADQVYGLIBGGAP-UHFFFAOYSA-NInChI: InChI=1S/C8H10FN3O2/c1-14-8(13)3-2-4(10)7(12)5(9)6(3)11/h2H,10-12H2,1H3
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Methyl 2-bromo-3-formylbenzoateCas Number: 750585-94-5 Compound CID: 66510816Formula: C9H7BrO3 Molecular Weight: 243.05IUPAC Name: methyl 2-bromo-3-formylbenzoateSMILES: COC(=O)C1=CC=CC(=C1Br)C=OInChIKey: CNQNIZZOOUMRHI-UHFFFAOYSA-NInChI: InChI=1S/C9H7BrO3/c1-13-9(12)7-4-2-3-6(5-11)8(7)10/h2-5H,1H3
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Methyl 3-(5-hydroxypyrimidin-2-yl)benzoateCas Number: 1092568-87-0 Compound CID: 59438048Formula: C12H10N2O3 Molecular Weight: 230.22IUPAC Name: methyl 3-(5-hydroxypyrimidin-2-yl)benzoateSMILES: COC(=O)C1=CC=CC(=C1)C2=NC=C(C=N2)OInChIKey: HMOOJGNQBDDOPX-UHFFFAOYSA-NInChI: InChI=1S/C12H10N2O3/c1-17-12(16)9-4-2-3-8(5-9)11-13-6-10(15)7-14-11/h2-7,15H,1H3
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Ethyl 4-ethyl-3-iodobenzoateCas Number: 1131588-09-4Formula: C11H13IO2 Molecular Weight: 304.12SMILES: CCC1=C(C=C(C=C1)C(=O)OCC)IInChIKey: UDLZFBSLGCLGOH-UHFFFAOYSA-NInChI: InChI=1S/C11H13IO2/c1-3-8-5-6-9(7-10(8)12)11(13)14-4-2/h5-7H,3-4H2,1-2H3
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Ethyl 4-amino-3-cyanobenzoateCas Number: 1260742-52-6 Compound CID: 91873775Formula: C10H10N2O2 Molecular Weight: 190.2IUPAC Name: ethyl 4-amino-3-cyanobenzoateSMILES: CCOC(=O)C1=CC(=C(C=C1)N)C#NInChIKey: LGUICQOVWOBJPJ-UHFFFAOYSA-NInChI: InChI=1S/C10H10N2O2/c1-2-14-10(13)7-3-4-9(12)8(5-7)6-11/h3-5H,2,12H2,1H3
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Chloromethyl 2，4-dichlorobenzoateCas Number: 70190-72-6 Compound CID: 51012Formula: C8H5Cl3O2 Molecular Weight: 239.5IUPAC Name: chloromethyl 2,4-dichlorobenzoateSMILES: C1=CC(=C(C=C1Cl)Cl)C(=O)OCClInChIKey: DOIDCVLQRFSVNF-UHFFFAOYSA-NInChI: InChI=1S/C8H5Cl3O2/c9-4-13-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
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4-(3-Bromo-4-oxobutyl)benzoic Acid Methyl EsterCas Number: 155405-79-1 Compound CID: 15284221Formula: C12H13BrO3 Molecular Weight: 285.13IUPAC Name: methyl 4-(3-bromo-4-oxobutyl)benzoateSMILES: COC(=O)C1=CC=C(C=C1)CCC(C=O)BrInChIKey: XOYOKAHNJQOAIM-UHFFFAOYSA-NInChI: InChI=1S/C12H13BrO3/c1-16-12(15)10-5-2-9(3-6-10)4-7-11(13)8-14/h2-3,5-6,8,11H,4,7H2,1H3
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2，5-Difluoro-4-methylbenzoic acid methyl esterCas Number: 1355488-71-9Formula: C9H8F2O2 Molecular Weight: 186.1554SMILES: CC1=CC(=C(C=C1F)C(=O)OC)FInChIKey: XFNQULKNUXINKA-UHFFFAOYSA-NInChI: InChI=1S/C9H8F2O2/c1-5-3-8(11)6(4-7(5)10)9(12)13-2/h3-4H,1-2H3
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2-Butoxyethyl benzoateCas Number: 5451-76-3 Compound CID: 79543Formula: C13H18O3 Molecular Weight: 222.28IUPAC Name: 2-butoxyethyl benzoateSMILES: CCCCOCCOC(=O)C1=CC=CC=C1InChIKey: NMBQBIACXMPEQB-UHFFFAOYSA-NInChI: InChI=1S/C13H18O3/c1-2-3-9-15-10-11-16-13(14)12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3
