chempirical

2-Chloro-3-methylbenzoic acid

C8H7ClO2CAS 15068-35-6170.59 g/mol

Open in Covalent MOL file
OHOCl
Aryl halideCarboxylic acid

Properties

Molecular formula
C8H7ClO2
Molar mass
170.59 g/mol
Exact mass
170.0135 Da
logP
2.35Crippen estimate
Polar surface area
37.3 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
1

Identifiers

CAS number
15068-35-6
SMILES
CC1=C(C(=CC=C1)C(=O)O)Cl
InChIKey
LWOKLXMNGXXORN-UHFFFAOYSA-N
InChI
InChI=1S/C8H7ClO2/c1-5-3-2-4-6(7(5)9)8(10)11/h2-4H,1H3,(H,10,11)

Weigh it out

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

Work with 2-Chloro-3-methylbenzoic 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-Dimethylbenzoic acid603-79-266 % similar 3-Methylsalicylic acid83-40-964 % similar 2,3-Dichlorobenzoic acid50-45-363 % similar 2,2′-Dithiobis(3-methylbenzoic acid)13363-59-262 % similar 2-Amino-3-methylbenzoic acid4389-45-162 % similar 3-Bromo-2-chlorobenzoic acid56961-27-461 % similar 2,6-Dimethylbenzoic acid632-46-258 % similar Meclofenamic acid644-62-256 % similar

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

Same formula

4-Methoxybenzoyl chloride100-07-2 Methyl 4-chlorobenzoate1126-46-1 4-Chloro-3-methoxybenzaldehyde13726-16-4 5′-Chloro-2′-hydroxyacetophenone1450-74-4 4-(Chloromethyl)benzoic acid1642-81-5 3-Methoxybenzoyl chloride1711-05-3 (3-Chlorophenyl)acetic acid1878-65-5 (4-Chlorophenyl)acetic acid1878-66-6

Elsewhere

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