Acetic acid, [4-[3-(4-chlorophenyl)-1-oxo-2-propenyl]phenoxy]-
Basic information
- CAS
51410-05-0- Standard SMILES
O=C(O)COc1ccc(C(=O)C=Cc2ccc(Cl)cc2)cc1- InChIKey
VHEONRIOSZXIEK-UHFFFAOYSA-N- Molecular formula
- C17H13ClO4
- Average molar mass
- 316.7 g/mol
- Monoisotopic mass
- 316.0502366
Names & identifiers
- Preferred name
- Acetic acid, [4-[3-(4-chlorophenyl)-1-oxo-2-propenyl]phenoxy]-
- IUPAC
- 2-[4-[3-(4-chlorophenyl)prop-2-enoyl]phenoxy]acetic acid
Names & synonyms
Acetic acid, [4-[3-(4-chlorophenyl)-1-oxo-2-propenyl]phenoxy]-51410-05-0SCHEMBL25190884DTXSID40383561{4-[3-(4-Chlorophenyl)prop-2-enoyl]phenoxy}acetic acid
Database identifiers
- CAS
51410-05-0- PubChem CID
- 2795166
- DTXSID
DTXSID40383561
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 405
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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