Ethyl 3,4-difluorobenzoate

C₉H₈F₂O₂CAS 144267-96-9186.16 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₉H₈F₂O₂
Molar mass: 186.16 g/mol
Exact mass: 186.0492 Da
logP: 2.14Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Identifiers

CAS number

144267-96-9

SMILES

CCOC(=O)c1ccc(F)c(F)c1

InChIKey

NKIWNSXGZXESSM-UHFFFAOYSA-N

InChI

InChI=1S/C9H8F2O2/c1-2-13-9(12)6-3-4-7(10)8(11)5-6/h3-5H,2H2,1H3

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Type any one amount. The others follow from the molar mass.

Names and synonyms

2 names

Benzoic acid, 3,4-difluoro-, ethyl ester
3,4-Difluorobenzoic acid ethyl ester

Work with Ethyl 3,4-difluorobenzoate

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Diethyl terephthalate636-09-965 % similar Ethyl 4-fluoro-3-nitrobenzoate367-80-664 % similar Methyl 3,4-difluorobenzoate369-25-563 % similar Ethyl 4-fluorobenzoate451-46-763 % similar Ethyl 3-fluorobenzoate451-02-562 % similar 1,3-Diethyl 1,3-benzenedicarboxylate636-53-362 % similar Ethyl protocatechuate3943-89-359 % similar Ethyl 2-naphthoate3007-91-858 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2,4-difluorobenzoate108928-00-3 1-[4-(Difluoromethoxy)phenyl]ethanone83882-67-1

Elsewhere

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