3-(3-Ethoxyphenyl)-4-chlorobenzoic acid
Basic information
- CAS
1261925-76-1- Standard SMILES
CCOc1cccc(-c2cc(C(=O)O)ccc2Cl)c1- InChIKey
MTWGAXFIRKFFTN-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.055322
Names & identifiers
- Preferred name
- 3-(3-Ethoxyphenyl)-4-chlorobenzoic acid
- IUPAC
- 4-chloro-3-(3-ethoxyphenyl)benzoic acid
Names & synonyms
1261925-76-14-chloro-3-(3-ethoxyphenyl)benzoic acidMFCD183204223-(3-ETHOXYPHENYL)-4-CHLOROBENZOIC ACIDDTXSID506900363-(3-Ethoxyphenyl)-4-chlorobenzoic acid, 95%6-Chloro-3'-ethoxy[1,1'-biphenyl]-3-carboxylic acid
Database identifiers
- CAS
1261925-76-1- PubChem CID
- 53226325
- DTXSID
DTXSID50690036
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 308
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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