chempirical

2,3-Difluorobenzeneacetic acid

C8H6F2O2CAS 145689-41-4172.13 g/mol

Open in Covalent MOL file
OHOFF
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H6F2O2
Molar mass
172.13 g/mol
Exact mass
172.0336 Da
logP
1.59Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Identifiers

CAS number
145689-41-4
SMILES
O=C(O)Cc1cccc(F)c1F
InChIKey
UXSQXUSJGPVOKT-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F2O2/c9-6-3-1-2-5(8(6)10)4-7(11)12/h1-3H,4H2,(H,11,12)

Weigh it out

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

Names and synonyms

3 names
  • Benzeneacetic acid, 2,3-difluoro-
  • 2,3-Difluorophenylacetic acid
  • 2-(2,3-Difluorophenyl)acetic acid

Work with 2,3-Difluorobenzeneacetic 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-Fluorophenyl)acetic acid451-82-172 % similar 3-Chloro-2-fluorobenzeneacetic acid261762-96-369 % similar 2,6-Difluorobenzeneacetic acid85068-28-664 % similar 2,3,6-Trifluorophenylacetic acid114152-23-760 % similar 1,2-Benzenediacetic acid7500-53-058 % similar 2-Chloro-6-fluorobenzeneacetic acid37777-76-755 % similar (2,4,5-Trifluorophenyl)acetic acid209995-38-054 % similar 2,3-Difluorobenzyl alcohol75853-18-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3,5-Difluoro-2-methylbenzoic acid1003710-06-2 2,5-Difluoro-4-methylbenzoic acid103877-80-1 3,5-Difluorophenylacetic acid105184-38-1 Methyl 2,4-difluorobenzoate106614-28-2 2,4-Difluoro-3-methylbenzoic acid112857-68-8 4,5-Difluoro-2-methylbenzoic acid183237-86-7 Methyl 3,4-difluorobenzoate369-25-5 (3,4-Difluorophenyl)acetic acid658-93-5

Elsewhere

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