6-Chloro-2-(4-ethoxy-2-methylphenyl)benzoic acid

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Basic information

CAS: 1261955-60-5
Standard SMILES: CCOc1ccc(-c2cccc(Cl)c2C(=O)O)c(C)c1
InChIKey: CABAAXSBZAJJNB-UHFFFAOYSA-N
Molecular formula: C16H15ClO3
Average molar mass: 290.74 g/mol
Monoisotopic mass: 290.070972

Names & identifiers

Preferred name: 6-Chloro-2-(4-ethoxy-2-methylphenyl)benzoic acid
IUPAC: 2-chloro-6-(4-ethoxy-2-methylphenyl)benzoic acid

Names & synonyms

1261955-60-5MFCD183212752-chloro-6-(4-ethoxy-2-methylphenyl)benzoic acid6-CHLORO-2-(4-ETHOXY-2-METHYLPHENYL)BENZOIC ACIDDTXSID506907532-chloro-6-(4-ethoxy-2-methyl-phenyl)benzoic acid6-Chloro-2-(4-ethoxy-2-methylphenyl)benzoic acid, 95%3-Chloro-4'-ethoxy-2'-methyl[1,1'-biphenyl]-2-carboxylic acid

Database identifiers

CAS: 1261955-60-5
PubChem CID: 53227166
DTXSID: DTXSID50690753

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 20
Formal charge: 0
Complexity: 334

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Compound notes

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