4-Fluoro-3-methoxybenzoic acid

C8H7FO3CAS 82846-18-2170.14 g/mol

Open in Covalent MOL file
OOHOF
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C8H7FO3
Molar mass
170.14 g/mol
Exact mass
170.0379 Da
Melting point
207.5 °C
logP
1.53Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 10 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
82846-18-2
SMILES
COc1cc(C(=O)O)ccc1F
InChIKey
LWGCZCMLPRMKIZ-UHFFFAOYSA-N
InChI
InChI=1S/C8H7FO3/c1-12-7-4-5(8(10)11)2-3-6(7)9/h2-4H,1H3,(H,10,11)

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Names and synonyms

1 names
  • Benzoic acid, 4-fluoro-3-methoxy-

Work with 4-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

3-Fluoro-4-methoxybenzoic acid403-20-377 % similar Veratric acid93-07-271 % similar 3,4-Difluorobenzoic acid455-86-767 % similar Vanillic acid121-34-665 % similar 4-Amino-3-methoxybenzoic acid2486-69-365 % similar 1-(4-Fluoro-3-methoxyphenyl)ethanone64287-19-065 % similar 4-Methyl-m-anisic acid7151-68-065 % similar 4-Bromo-3-methoxybenzoic acid56256-14-563 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-2-methoxybenzoic acid106428-05-1 2-Fluoro-3-methoxybenzoic acid137654-20-7 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

Elsewhere

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