3-(3,5-Dichlorophenyl)-2-methoxybenzoic acid

HCID 53227751

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Basic information

CAS: 1261914-38-8
Standard SMILES: COc1c(C(=O)O)cccc1-c1cc(Cl)cc(Cl)c1
InChIKey: JKQBDAZNCJSAMX-UHFFFAOYSA-N
Molecular formula: C14H10Cl2O3
Average molar mass: 297.1 g/mol
Monoisotopic mass: 296.0006996

Names & identifiers

Preferred name: 3-(3,5-Dichlorophenyl)-2-methoxybenzoic acid
IUPAC: 3-(3,5-dichlorophenyl)-2-methoxybenzoic acid

Names & synonyms

1261914-38-83-(3,5-DICHLOROPHENYL)-2-METHOXYBENZOIC ACIDMFCD18321921DTXSID906912843-(3,5-dichlorophenyl)-2-methoxy-benzoic acid3-(3,5-Dichlorophenyl)-2-methoxybenzoic acid, 95%3',5'-Dichloro-2-methoxy[1,1'-biphenyl]-3-carboxylic acid

Database identifiers

CAS: 1261914-38-8
PubChem CID: 53227751
DTXSID: DTXSID90691284

Properties

Computed structural properties

XLogP: 4.3
Topological polar surface area: 46.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 314

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