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

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-Fluoro-3-methoxybenzoic acid137654-20-774 % similar 5-Methoxy-2,3,4-trifluorobenzoic acid38233-47-571 % similar 2,3,4-Trimethoxybenzoic acid573-11-561 % similar 5-Fluoro-2-methoxybenzoic acid394-04-761 % similar 4-Fluoro-2-methoxybenzoic acid395-82-461 % similar 3,4-Difluoro-2-methoxybenzoic acid875664-52-159 % similar 4-Amino-2,3-difluorobenzoic acid194804-85-858 % similar 2,3-Difluoro-4-methylbenzoic acid261763-37-558 % 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 4-Difluoromethoxy-3-hydroxybenzaldehyde151103-08-1 2,4-Difluoro-3-methoxybenzoic acid178974-97-5 2,5-Difluoro-α-hydroxybenzeneacetic acid207853-61-0 2,3-Difluoromandelic acid207974-19-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook