Completing data — usually done within a minute
Basic information
- CAS
58038-56-5- Standard SMILES
CC(=CC(=O)Cl)c1ccc(-c2ccccc2)cc1- InChIKey
DVJSLMBYZABGJA-UHFFFAOYSA-N- Molecular formula
- C16H13ClO
- Average molar mass
- 256.72 g/mol
- Monoisotopic mass
- 256.06549272
Names & identifiers
- Preferred name
- 3-([1,1'-Biphenyl]-4-yl)but-2-enoyl chloride
- IUPAC
- 3-(4-phenylphenyl)but-2-enoyl chloride
Names & synonyms
58038-56-53-([1,1'-Biphenyl]-4-yl)but-2-enoyl chlorideSCHEMBL11241460DTXSID90706625DVJSLMBYZABGJA-UHFFFAOYSA-N3-(4-Biphenylyl)-2-butenoic acid chloride
Database identifiers
- CAS
58038-56-5- PubChem CID
- 53781189
- DTXSID
DTXSID90706625
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 307
Related reactions
2 records
Compound notes
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