3-Fluoro-4-(4-fluoro-3-methoxycarbonylphenyl)benzoic acid

HCID 53228024

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 1261934-60-4
Standard SMILES: COC(=O)c1cc(-c2ccc(C(=O)O)cc2F)ccc1F
InChIKey: OLQRTRLFOAWDMJ-UHFFFAOYSA-N
Molecular formula: C15H10F2O4
Average molar mass: 292.23 g/mol
Monoisotopic mass: 292.05471512

Names & identifiers

Preferred name: 3-Fluoro-4-(4-fluoro-3-methoxycarbonylphenyl)benzoic acid
IUPAC: 3-fluoro-4-(4-fluoro-3-methoxycarbonylphenyl)benzoic acid

Names & synonyms

1261934-60-43-FLUORO-4-(4-FLUORO-3-METHOXYCARBONYLPHENYL)BENZOIC ACIDMFCD18322194DTXSID406915573-fluoro-4-(4-fluoro-3-methoxycarbonyl-phenyl)benzoic acid3-Fluoro-4-(4-fluoro-3-methoxycarbonylphenyl)benzoic acid, 95%2,4'-Difluoro-3'-(methoxycarbonyl)[1,1'-biphenyl]-4-carboxylic acid

Database identifiers

CAS: 1261934-60-4
PubChem CID: 53228024
DTXSID: DTXSID40691557

Properties

Computed structural properties

XLogP: 4.1
Topological polar surface area: 63.6 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 4
Heavy atoms: 21
Formal charge: 0
Complexity: 401

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…