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Benzoic acid esters
Description:
Ester derivatives of benzoic acid.
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tert-Butyl 4-bromo-2-methylbenzoateCas Number: 445003-37-2 Compound CID: 53432590Formula: C12H15BrO2 Molecular Weight: 271.15IUPAC Name: tert-butyl 4-bromo-2-methylbenzoateSMILES: CC1=C(C=CC(=C1)Br)C(=O)OC(C)(C)CInChIKey: KKSOKTQAWHCIMG-UHFFFAOYSA-NInChI: InChI=1S/C12H15BrO2/c1-8-7-9(13)5-6-10(8)11(14)15-12(2,3)4/h5-7H,1-4H3 -
tert-Butyl 4-bromo-3-fluorobenzoateCas Number: 1057961-75-7 Compound CID: 60150310Formula: C11H12BrFO2 Molecular Weight: 275.11IUPAC Name: tert-butyl 4-bromo-3-fluorobenzoateSMILES: CC(C)(C)OC(=O)C1=CC(=C(C=C1)Br)FInChIKey: KLVOTIIVGDSRRO-UHFFFAOYSA-NInChI: InChI=1S/C11H12BrFO2/c1-11(2,3)15-10(14)7-4-5-8(12)9(13)6-7/h4-6H,1-3H3
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tert-Butyl 4-bromo-2，6-difluorobenzoateCas Number: 955887-09-9 Compound CID: 53432588Formula: C11H11BrF2O2 Molecular Weight: 293.1IUPAC Name: tert-butyl 4-bromo-2,6-difluorobenzoateSMILES: CC(C)(C)OC(=O)C1=C(C=C(C=C1F)Br)FInChIKey: KKTKGKORENKLNV-UHFFFAOYSA-NInChI: InChI=1S/C11H11BrF2O2/c1-11(2,3)16-10(15)9-7(13)4-6(12)5-8(9)14/h4-5H,1-3H3
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tert-Butyl 4-bromo-2-hydroxybenzoateCas Number: 889858-09-7 Compound CID: 63897364IUPAC Name: tert-butyl 4-bromo-2-hydroxybenzoateSMILES: CC(C)(C)OC(=O)C1=C(C=C(C=C1)Br)OInChIKey: ZYXVOGMSFFKAMS-UHFFFAOYSA-NInChI: InChI=1S/C11H13BrO3/c1-11(2,3)15-10(14)8-5-4-7(12)6-9(8)13/h4-6,13H,1-3H3
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tert-Butyl 4-(hydroxymethyl)benzoateFormula: C12H16O3 Molecular Weight: 208.25IUPAC Name: tert-butyl 4-(hydroxymethyl)benzoateSMILES: CC(C)(C)OC(=O)C1=CC=C(C=C1)COInChIKey: MGMZECMXYCZYSQ-UHFFFAOYSA-NInChI: InChI=1S/C12H16O3/c1-12(2,3)15-11(14)10-6-4-9(8-13)5-7-10/h4-7,13H,8H2,1-3H3
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tert-Butyl 4-amino-3-fluorobenzoateCas Number: 157665-53-7 Compound CID: 10420674Formula: C11H14FNO2 Molecular Weight: 211.23IUPAC Name: tert-butyl 4-amino-3-fluorobenzoateSMILES: CC(C)(C)OC(=O)C1=CC(=C(C=C1)N)FInChIKey: FYHPHTHRJPRDSU-UHFFFAOYSA-NInChI: InChI=1S/C11H14FNO2/c1-11(2,3)15-10(14)7-4-5-9(13)8(12)6-7/h4-6H,13H2,1-3H3
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tert-Butyl 4-amino-2-hydroxybenzoateCas Number: 889858-34-8 Compound CID: 53432586Formula: C11H15NO3 Molecular Weight: 209.24IUPAC Name: tert-butyl 4-amino-2-hydroxybenzoateSMILES: CC(C)(C)OC(=O)C1=C(C=C(C=C1)N)OInChIKey: JHTXKCAAVOPISU-UHFFFAOYSA-NInChI: InChI=1S/C11H15NO3/c1-11(2,3)15-10(14)8-5-4-7(12)6-9(8)13/h4-6,13H,12H2,1-3H3
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ZeylenoneCas Number: 193410-84-3 Compound CID: 10571940Formula: C21H18O7 Molecular Weight: 382.37IUPAC Name: [(1S,5R,6S)-5-benzoyloxy-1,6-dihydroxy-2-oxocyclohex-3-en-1-yl]methyl benzoateSMILES: C1=CC=C(C=C1)C(=O)OCC2(C(C(C=CC2=O)OC(=O)C3=CC=CC=C3)O)OInChIKey: UUNZIGRBVXAOSR-PLMTUMEDSA-NInChI: InChI=1S/C21H18O7/c22-17-12-11-16(28-20(25)15-9-5-2-6-10-15)18(23)21(17,26)13-27-19(24)14-7-3-1-4-8-14/h1-12,16,18,23,26H,13H2/t16-,18+,21-/m1/s1
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ZeylenolCas Number: 78804-17-8 Compound CID: 10992619Formula: C21H20O7 Molecular Weight: 384.39IUPAC Name: [(1R,2S,5R,6S)-5-benzoyloxy-1,2,6-trihydroxycyclohex-3-en-1-yl]methyl benzoateSMILES: C1=CC=C(C=C1)C(=O)OCC2(C(C=CC(C2O)OC(=O)C3=CC=CC=C3)O)OInChIKey: AWCUZBLYCWUTRL-OEMYIYORSA-NInChI: show more
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Methyl5-chloro-2-fluorobenzoateCas Number: 57381-36-9 Compound CID: 21525433Formula: C8H6ClFO2 Molecular Weight: 188.59IUPAC Name: methyl 5-chloro-2-fluorobenzoateSMILES: COC(=O)C1=C(C=CC(=C1)Cl)FInChIKey: NFYVEESAHPQMJI-UHFFFAOYSA-NInChI: InChI=1S/C8H6ClFO2/c1-12-8(11)6-4-5(9)2-3-7(6)10/h2-4H,1H3
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Methyl2-amino-6-hydroxybenzoateCas Number: 64241-01-6 Compound CID: 21514499IUPAC Name: methyl 2-amino-6-hydroxybenzoateSMILES: COC(=O)C1=C(C=CC=C1O)NInChIKey: BZDGFJYGNNWRKC-UHFFFAOYSA-NInChI: InChI=1S/C8H9NO3/c1-12-8(11)7-5(9)3-2-4-6(7)10/h2-4,10H,9H2,1H3
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Methyl4-(2-aminoethoxy)benzoateCas Number: 56850-93-2 Compound CID: 14097616IUPAC Name: methyl 4-(2-aminoethoxy)benzoateSMILES: COC(=O)C1=CC=C(C=C1)OCCNInChIKey: SMRYWTZXDXXQKC-UHFFFAOYSA-NInChI: InChI=1S/C10H13NO3/c1-13-10(12)8-2-4-9(5-3-8)14-7-6-11/h2-5H,6-7,11H2,1H3
