2,3-Dichlorophenylacetic acid

C₈H₆Cl₂O₂CAS 10236-60-9205.03 g/mol

Open in Covalent MOL file

Aryl halide Carboxylic acid

Properties

Molecular formula: C₈H₆Cl₂O₂
Molar mass: 205.03 g/mol
Exact mass: 203.9745 Da
logP: 2.62Crippen estimate
Polar surface area: 37.3 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed88% of notifiers
H315 Causes skin irritation12% of notifiers
H318 Causes serious eye damage88% of notifiers
H319 Causes serious eye irritation12% of notifiers
H335 May cause respiratory irritation10.7% of notifiers

Aggregated from 75 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

10236-60-9

SMILES

C1=CC(=C(C(=C1)Cl)Cl)CC(=O)O

InChIKey

YWMXEUIQZOQESD-UHFFFAOYSA-N

InChI

InChI=1S/C8H6Cl2O2/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

1 names

2-(2,3-Dichlorophenyl)acetic acid

Work with 2,3-Dichlorophenylacetic 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

o-Chlorophenylacetic acid2444-36-274 % similar 3-Chloro-2-fluorobenzeneacetic acid261762-96-366 % similar 2,6-Dichlorophenylacetic acid6575-24-263 % similar 1,2-Benzenediacetic acid7500-53-060 % similar Diclofenac15307-86-559 % similar 4-Chloroindole-3-acetic acid2519-61-156 % similar 3-(2-Chlorophenyl)propionic acid1643-28-356 % similar 2-Chloro-4-fluorobenzeneacetic acid177985-32-955 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Methyl 2,6-dichlorobenzoate14920-87-7 2,4-Dichlorophenylacetic acid19719-28-9 Methyl 2,3-dichlorobenzoate2905-54-6 3,5-Dichlorobenzoic acid methyl ester2905-67-1 Methyl 3,4-dichlorobenzoate2905-68-2 Methyl 2,5-dichlorobenzoate2905-69-3 5-Chloro-2-methoxybenzoyl chloride29568-33-0 3',5'-Dichloro-2'-hydroxyacetophenone3321-92-4

Elsewhere

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