2,6-Difluoro-4-methoxybenzoic acid

C₈H₆F₂O₃CAS 123843-65-2188.13 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₆F₂O₃
Molar mass: 188.13 g/mol
Exact mass: 188.0285 Da
logP: 1.67Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

123843-65-2

SMILES

COc1cc(F)c(C(=O)O)c(F)c1

InChIKey

LGHVYSAINQRZJQ-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O3/c1-13-4-2-5(9)7(8(11)12)6(10)3-4/h2-3H,1H3,(H,11,12)

Weigh it out

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

Names and synonyms

1 names

Benzoic acid, 2,6-difluoro-4-methoxy-

Work with 2,6-Difluoro-4-methoxybenzoic acid

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

2,4,6-Trimethoxybenzoic acid570-02-564 % similar 2,4,6-Trifluorobenzoic acid28314-80-959 % similar 3,5-Dimethoxybenzoic acid1132-21-458 % similar 4-Bromo-2,6-difluorobenzoic acid183065-68-156 % similar 2-Fluoro-6-methoxybenzoic acid137654-21-855 % similar 2,6-Difluorobenzoic acid385-00-252 % similar 3-Fluoro-4-methoxybenzoic acid403-20-351 % similar 4-Fluoro-3-methoxybenzoic acid82846-18-251 % similar

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

Same formula

2-(3,4-Difluorophenyl)-2-hydroxyacetic acid132741-29-8 2,4-Difluoromandelic acid132741-30-1 3,5-Difluoromandelic acid132741-31-2 4-Difluoromethoxy-3-hydroxybenzaldehyde151103-08-1 2,4-Difluoro-3-methoxybenzoic acid178974-97-5 2,5-Difluoro-α-hydroxybenzeneacetic acid207853-61-0 2,3-Difluoro-4-methoxybenzoic acid329014-60-0 4-(Difluoromethoxy)benzoic acid4837-20-1

Elsewhere

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