2-Fluoro-3-methoxybenzoic acid

C₈H₇FO₃CAS 137654-20-7170.14 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid Ether

Properties

Molecular formula: C₈H₇FO₃
Molar mass: 170.14 g/mol
Exact mass: 170.0379 Da
logP: 1.53Crippen estimate
Polar surface area: 46.5 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed33.3% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled33.3% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

137654-20-7

SMILES

COC1=CC=CC(=C1F)C(=O)O

InChIKey

AVGWCJLTQZQLCN-UHFFFAOYSA-N

InChI

InChI=1S/C8H7FO3/c1-12-6-4-2-3-5(7(6)9)8(10)11/h2-4H,1H3,(H,10,11)

Weigh it out

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

Work with 2-Fluoro-3-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-Difluoro-4-methoxybenzoic acid329014-60-074 % similar 2-Methoxybenzoic acid529-75-968 % similar o-Anisic acid579-75-968 % similar 2,3-Dimethoxybenzoic acid1521-38-667 % similar 3-Methoxy-2-methylbenzoic acid55289-06-065 % similar 3-Methoxysalicylic acid877-22-565 % similar 2-Amino-3-methoxybenzoic acid3177-80-863 % similar 5-Methoxy-2,3,4-trifluorobenzoic acid38233-47-561 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-2-methoxybenzoic acid106428-05-1 2-Fluoro-6-methoxybenzoic acid137654-21-8 Methyl 2-fluoro-4-hydroxybenzoate197507-22-5 2-Fluoro-5-methoxybenzoic acid367-83-9 Methyl 5-fluoro-2-hydroxybenzoate391-92-4 Methyl 4-fluorosalicylate392-04-1 5-Fluoro-2-methoxybenzoic acid394-04-7 2-Fluoro-4-methoxybenzoic acid394-42-3

Elsewhere

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