Basic information
- CAS
17306-02-4- Standard SMILES
Cc1ccc(C(=O)C=CCl)cc1- InChIKey
PXDDMPVNEGCENH-UHFFFAOYSA-N- Molecular formula
- C10H9ClO
- Average molar mass
- 180.63 g/mol
- Monoisotopic mass
- 180.0341926
Names & identifiers
- Preferred name
- 3-Chloro-1-(4-methylphenyl)-2-propen-1-one
- IUPAC
- 3-chloro-1-(4-methylphenyl)prop-2-en-1-one
Names & synonyms
3-Chloro-1-(4-methylphenyl)-2-propen-1-one17306-02-4RefChem:2780573-chloro-1-(4-methylphenyl)prop-2-en-1-oneSCHEMBL11877275DTXSID901267428
Database identifiers
- CAS
17306-02-4- PubChem CID
- 28461
- DTXSID
DTXSID901267428
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 178
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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