4-(3-Carboxy-4-chlorophenyl)-3-methoxybenzoic acid

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Basic information

CAS: 1262005-44-6
Standard SMILES: COc1cc(C(=O)O)ccc1-c1ccc(Cl)c(C(=O)O)c1
InChIKey: FOMKTSFHPCWQNT-UHFFFAOYSA-N
Molecular formula: C15H11ClO5
Average molar mass: 306.7 g/mol
Monoisotopic mass: 306.0295011

Names & identifiers

Preferred name: 4-(3-Carboxy-4-chlorophenyl)-3-methoxybenzoic acid
IUPAC: 5-(4-carboxy-2-methoxyphenyl)-2-chlorobenzoic acid

Names & synonyms

1262005-44-6MFCD183223505-(4-carboxy-2-methoxyphenyl)-2-chlorobenzoic acidDTXSID406917144-(3-CARBOXY-4-CHLOROPHENYL)-3-METHOXYBENZOIC ACID5-(4-carboxy-2-methoxy-phenyl)-2-chloro-benzoic acid4-(3-Carboxy-4-chlorophenyl)-3-methoxybenzoic acid, 95%4-Chloro-2'-methoxy[1,1'-biphenyl]-3,4'-dicarboxylic acid

Database identifiers

CAS: 1262005-44-6
PubChem CID: 53228181
DTXSID: DTXSID40691714

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 83.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 400

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Compound notes

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