chempirical

3,5-Dichlorobenzeneacetic acid

C8H6Cl2O2CAS 51719-65-4205.03 g/mol

Open in Covalent MOL file
OHOClCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H6Cl2O2
Molar mass
205.03 g/mol
Exact mass
203.9745 Da
Melting point
112–115 °C
logP
2.62Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
51719-65-4
SMILES
O=C(O)Cc1cc(Cl)cc(Cl)c1
InChIKey
RERINLRFXYGZEE-UHFFFAOYSA-N
InChI
InChI=1S/C8H6Cl2O2/c9-6-1-5(3-8(11)12)2-7(10)4-6/h1-2,4H,3H2,(H,11,12)

Weigh it out

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

Names and synonyms

4 names
  • Benzeneacetic acid, 3,5-dichloro-
  • Acetic acid, (3,5-dichlorophenyl)-
  • 3,5-Dichlorophenylacetic acid
  • 2-(3,5-Dichlorophenyl)acetic acid

Work with 3,5-Dichlorobenzeneacetic 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-(3-Chloro-5-fluorophenyl)acetic acid202001-00-174 % similar (3-Chlorophenyl)acetic acid1878-65-570 % similar 3-Chloro-5-(trifluoromethyl)benzeneacetic acid886496-99-768 % similar (4-Chlorophenyl)acetic acid1878-66-666 % similar 1,3-Benzenediacetic acid19806-17-859 % similar 3,5-Dihydroxyphenylacetic acid4670-09-157 % similar 1,4-Benzenediacetic acid7325-46-456 % similar 3,5-Difluorophenylacetic acid105184-38-155 % similar

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

Same formula

2,3-Dichlorophenylacetic acid10236-60-9 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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook