3,5-Difluoro-4-methoxybenzoic acid

C₈H₆F₂O₃CAS 319-60-8188.13 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 9 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

319-60-8

SMILES

COC1=C(C=C(C=C1F)C(=O)O)F

InChIKey

YOWQTTYAQQPSHM-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3,5-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

3-Fluoro-4-methoxybenzoic acid403-20-364 % similar Eudesmic acid118-41-264 % similar 4-Methoxy-3,5-dimethylbenzoic acid21553-46-862 % similar 3,5-Dibromo-4-methoxybenzoic acid4073-35-260 % similar 4-Fluoro-3-methoxybenzoic acid82846-18-259 % similar 3,4,5-Trifluorobenzoic acid121602-93-559 % similar 3-Methoxy-2,4,5-trifluorobenzoic acid11281-65-558 % similar 2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-158 % 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

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