2,3-Difluoro-4-methoxybenzoic acid

C₈H₆F₂O₃CAS 329014-60-0188.13 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

329014-60-0

SMILES

COc1ccc(C(=O)O)c(F)c1F

InChIKey

OBSJPUVORWCLNA-UHFFFAOYSA-N

InChI

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

Work with 2,3-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

2,3,4-Trimethoxybenzoic acid573-11-561 % similar 4-Fluoro-2-methoxybenzoic acid395-82-461 % similar 4-Amino-2,3-difluorobenzoic acid194804-85-858 % similar 4-Methoxy-1-naphthalenecarboxylic acid13041-62-858 % similar 2,3,4-Trifluorobenzoic acid61079-72-957 % similar O-Anisic acid579-75-956 % similar 4-Methoxy-1,3-benzenedicarboxylic acid2206-43-155 % similar 2,5-Dimethoxybenzoic acid2785-98-055 % similar

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

Same formula

2,6-Difluoro-4-methoxybenzoic acid123843-65-2 2-(3,4-Difluorophenyl)-2-hydroxyacetic acid132741-29-8 2,4-Difluoromandelic acid132741-30-1 3,5-Difluoromandelic acid132741-31-2 2,5-Difluoro-α-hydroxybenzeneacetic acid207853-61-0 4-(Difluoromethoxy)benzoic acid4837-20-1 3,4-Difluoro-2-methoxybenzoic acid875664-52-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook