chempirical

2,4-Difluoro-3-methoxybenzoic acid

C8H6F2O3CAS 178974-97-5188.13 g/mol

Open in Covalent MOL file
OFOOHF
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

Identifiers

CAS number
178974-97-5
SMILES
COC1=C(C=CC(=C1F)C(=O)O)F
InChIKey
KWLIGHXPUYUTBH-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F2O3/c1-13-7-5(9)3-2-4(6(7)10)8(11)12/h2-3H,1H3,(H,11,12)

Weigh it out

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

Work with 2,4-Difluoro-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

3,4-Difluoro-2-methoxybenzoic acid875664-52-178 % similar 3-Methoxy-2,4,5-trifluorobenzoic acid11281-65-568 % similar 2,4,5-Trifluoro-3-methoxybenzoic acid112811-65-168 % similar 2,3-Difluoro-4-methoxybenzoic acid329014-60-063 % similar 2,3,4-Trifluorobenzoic acid61079-72-963 % similar 2,3,4-Trimethoxybenzoic acid573-11-554 % similar 2,3-Difluorobenzoic acid4519-39-553 % similar 4-Amino-2,3-difluorobenzoic acid194804-85-851 % 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 2,5-Difluoro-α-hydroxybenzeneacetic acid207853-61-0 2,3-Difluoromandelic acid207974-19-4 2,6-Difluoromandelic acid207981-50-8

Elsewhere

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