Basic information
- CAS
148470-36-4- Standard SMILES
O=C/C=C(/Cl)C(=O)c1ccccc1- InChIKey
XSGCGLNPKIOTAG-RMKNXTFCSA-N- Molecular formula
- C10H7ClO2
- Average molar mass
- 194.61 g/mol
- Monoisotopic mass
- 194.0134572
Names & identifiers
- Preferred name
- 2-Butenal, 3-chloro-4-oxo-4-phenyl-, (E)-
- IUPAC
- (E)-3-chloro-4-oxo-4-phenylbut-2-enal
- English name
- 2-Butenal, 3-chloro-4-oxo-4-phenyl-, (E)- (9CI)
- Molecular formula
- C10H7ClO2
- Molecular weight
- 194.61
Names & synonyms
148470-36-4(E)-3-chloro-4-oxo-4-phenylbut-2-enal2-BUTENAL, 3-CHLORO-4-OXO-4-PHENYL-, (E)-2-Butenal, 3-chloro-4-oxo-4-phenyl-, (E)- (9CI)DTXSID90450050(2E)-3-chloro-4-oxo-4-phenyl-2-butenal(2E)-3-CHLORO-4-OXO-4-PHENYLBUT-2-ENAL
Database identifiers
- CAS
148470-36-4- PubChem CID
- 10965415
- DTXSID
DTXSID90450050
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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