4-(2-Chloro-4-ethoxyphenyl)benzoic acid
Basic information
- CAS
892844-02-9- Standard SMILES
CCOc1ccc(-c2ccc(C(=O)O)cc2)c(Cl)c1- InChIKey
ZXKIKZSRFDVTSY-UHFFFAOYSA-N- Molecular formula
- C15H13ClO3
- Average molar mass
- 276.71 g/mol
- Monoisotopic mass
- 276.055322
Names & identifiers
- Preferred name
- 4-(2-Chloro-4-ethoxyphenyl)benzoic acid
- IUPAC
- 4-(2-chloro-4-ethoxyphenyl)benzoic acid
Names & synonyms
4-(2-CHLORO-4-ETHOXYPHENYL)BENZOIC ACID892844-02-9SCHEMBL3750017DTXSID00683377ZXKIKZSRFDVTSY-UHFFFAOYSA-N2'-chloro-4'-ethoxy-biphenyl-4-carboxylic acid4-(2-Chloro-4-ethoxyphenyl)benzoic acid, 95%2'-Chloro-4'-ethoxy[1,1'-biphenyl]-4-carboxylic acid
Database identifiers
- CAS
892844-02-9- PubChem CID
- 53218436
- DTXSID
DTXSID00683377
Properties
Computed structural properties
- XLogP
- 4.2
- 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
- 300
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Related reactions
1 records
Compound notes
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