Methyl 2,4-difluorobenzoate

C₈H₆F₂O₂CAS 106614-28-2172.13 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₈H₆F₂O₂
Molar mass: 172.13 g/mol
Exact mass: 172.0336 Da
Boiling point: 190–194 °C
logP: 1.75Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Identifiers

CAS number

106614-28-2

SMILES

COC(=O)c1ccc(F)cc1F

InChIKey

YQUHULOBTDYMAG-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,1H3

Weigh it out

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

Names and synonyms

2 names

Benzoic acid, 2,4-difluoro-, methyl ester
2,4-Difluorobenzoic acid methyl ester

Work with Methyl 2,4-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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Methyl 4-fluoro-2-methoxybenzoate204707-42-671 % similar Dimethyl 2-fluoroterephthalate5292-47-771 % similar Methyl 2-amino-5-fluorobenzoate319-24-467 % similar Methyl 4-fluoro-2-hydroxybenzoate392-04-167 % similar Ethyl 2,4-difluorobenzoate108928-00-365 % similar Methyl 2-bromo-5-fluorobenzoate6942-39-862 % similar Methyl 2-fluorobenzoate394-35-462 % similar [3-Fluoro-4-(methoxycarbonyl)phenyl]boronic acid505083-04-562 % similar

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

Same formula

3,5-Difluoro-2-methylbenzoic acid1003710-06-2 2,5-Difluoro-4-methylbenzoic acid103877-80-1 3,5-Difluorophenylacetic acid105184-38-1 2,4-Difluoro-3-methylbenzoic acid112857-68-8 2,3-Difluorobenzeneacetic acid145689-41-4 4,5-Difluoro-2-methylbenzoic acid183237-86-7 Methyl 3,4-difluorobenzoate369-25-5 (3,4-Difluorophenyl)acetic acid658-93-5

Elsewhere

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