2,3-Difluorobenzeneacetic acid

C₈H₆F₂O₂CAS 145689-41-4172.13 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic 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 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed83.3% of notifiers
H315 Causes skin irritation97.9% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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-(2,3,4-Trifluorophenyl)acetic acid243666-12-873 % similar (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 2,3,5-Trifluorophenylacetic acid132992-28-059 % similar 1,2-Benzenediacetic acid7500-53-058 % similar 2-Chloro-6-fluorobenzeneacetic acid37777-76-755 % 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 4,5-Difluoro-2-methoxybenzaldehyde145742-34-3

Elsewhere

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