2,4-Difluorophenylacetic acid

C8H6F2O2CAS 81228-09-3172.13 g/mol

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Aryl halideCarboxylic acid

Properties

Molecular formula
C8H6F2O2
Molar mass
172.13 g/mol
Exact mass
172.0336 Da
Melting point
117 °C
logP
1.59Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

Aggregated from 48 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
81228-09-3
SMILES
O=C(O)Cc1ccc(F)cc1F
InChIKey
QPKZIGHNRLZBCL-UHFFFAOYSA-N
InChI
InChI=1S/C8H6F2O2/c9-6-2-1-5(3-8(11)12)7(10)4-6/h1-2,4H,3H2,(H,11,12)

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Names and synonyms

3 names
  • Benzeneacetic acid, 2,4-difluoro-
  • 2,4-Difluorobenzeneacetic acid
  • 2-(2,4-Difluorophenyl)acetic acid

Work with 2,4-Difluorophenylacetic 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

2,5-Difluorobenzeneacetic acid85068-27-576 % similar 2-(4-Bromo-2-fluorophenyl)acetic acid114897-92-667 % similar 2-Chloro-4-fluorobenzeneacetic acid177985-32-967 % similar 4-Chloro-2-fluorophenylacetic acid194240-75-067 % similar 2-Fluoro-4-methylbenzeneacetic acid518070-28-567 % similar 2-Bromo-4-fluorobenzeneacetic acid61150-59-267 % similar 2-(Carboxymethyl)-5-fluorobenzoic acid583880-95-965 % similar 2,3,5-Trifluorophenylacetic acid132992-28-064 % 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 Methyl 2,6-difluorobenzoate13671-00-6 1-(3,5-Difluoro-2-hydroxyphenyl)ethan-1-one140675-42-9 2,3-Difluorobenzeneacetic acid145689-41-4

Elsewhere

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