chempirical

2,6-Dichlorobenzoic acid

C7H4Cl2O2CAS 50-30-6191.01 g/mol

Open in Covalent MOL file
OHOClCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C7H4Cl2O2
Molar mass
191.01 g/mol
Exact mass
189.9588 Da
Melting point
144 °C
logP
2.69Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
50-30-6
SMILES
O=C(O)c1c(Cl)cccc1Cl
InChIKey
MRUDNSFOFOQZDA-UHFFFAOYSA-N
InChI
InChI=1S/C7H4Cl2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)

Weigh it out

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

Names and synonyms

2 names
  • Benzoic acid, 2,6-dichloro-
  • NSC 76599

Work with 2,6-Dichlorobenzoic 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-Chloro-6-hydroxybenzoic acid56961-31-074 % similar 2-Chloro-6-methylbenzoic acid21327-86-671 % similar 2-Amino-6-chlorobenzoic acid2148-56-371 % similar 2-Chloro-6-fluorobenzoic acid434-75-371 % similar 2,4,6-Trichlorobenzoic acid50-43-169 % similar 2,3,6-Trichlorobenzoic acid50-31-767 % similar 4-Bromo-2,6-dichlorobenzoic acid232275-51-364 % similar 3,6-Dichlorosalicylic acid3401-80-764 % similar

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

Same formula

2,3-Dichlorobenzoic acid50-45-3 2,5-Dichlorobenzoic acid50-79-3 2,4-Dichlorobenzoic acid50-84-0 3,5-Dichlorobenzoic acid51-36-5 3,4-Dichlorobenzoic acid51-44-5 3,5-Dichlorosalicylaldehyde90-60-8

Elsewhere

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