Basic information
- CAS
15787-87-8- Standard SMILES
O=C(C=CCl)c1ccc([N+](=O)[O-])cc1- InChIKey
ADRDHEFLWUEGCY-UHFFFAOYSA-N- Molecular formula
- C9H6ClNO3
- Average molar mass
- 211.6 g/mol
- Monoisotopic mass
- 211.0036207
Names & identifiers
- Preferred name
- 3-Chloro-1-(4-nitrophenyl)prop-2-en-1-one
- IUPAC
- 3-chloro-1-(4-nitrophenyl)prop-2-en-1-one
Names & synonyms
3-chloro-1-(4-nitrophenyl)prop-2-en-1-one3-chloro-4'-nitroacrylophenoneSCHEMBL2561308DTXSID3012692883-Chloro-1-(4-nitrophenyl)-2-propen-1-one
Database identifiers
- CAS
15787-87-8- PubChem CID
- 27481
- DTXSID
DTXSID301269288
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 251
Experimental & physicochemical properties
SpringerMaterials PropertiesDiamagnetic susceptibility
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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