chempirical

3,4-Difluoro-2-methoxybenzoic acid

C8H6F2O3CAS 875664-52-1188.13 g/mol

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OOOHFF
Aryl halideCarboxylic acidEther

Properties

Molecular formula
C8H6F2O3
Molar mass
188.13 g/mol
Exact mass
188.0285 Da
logP
1.67Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
875664-52-1
SMILES
COc1c(C(=O)O)ccc(F)c1F
InChIKey
BGBIVLWLYHILBQ-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F2O3/c1-13-7-4(8(11)12)2-3-5(9)6(7)10/h2-3H,1H3,(H,11,12)

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Names and synonyms

1 names
  • Benzoic acid, 3,4-difluoro-2-methoxy-

Work with 3,4-Difluoro-2-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-Methoxy-2,4,5-trifluorobenzoic acid11281-65-568 % similar 2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-168 % similar 3-Fluoro-2-methoxybenzoic acid106428-05-166 % similar 2,3,4-Trifluorobenzoic acid61079-72-963 % similar 3,4-Difluoro-2-methylbenzoic acid157652-31-861 % similar 2,3-Difluoro-4-methoxybenzoic acid329014-60-059 % similar 3,4-Difluoro-2-hydroxybenzoic acid189283-51-058 % similar 2,3,4-Trimethoxybenzoic acid573-11-558 % 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

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