Basic information
- CAS
28022-03-9- Standard SMILES
O=C(C=Cc1ccc([N+](=O)[O-])cc1)c1ccccc1Cl- InChIKey
VHAHMOUMPUEKND-UHFFFAOYSA-N- Molecular formula
- C15H10ClNO3
- Average molar mass
- 287.7 g/mol
Names & identifiers
- Preferred name
- 1-(2-Chlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one
- IUPAC
- 1-(2-chlorophenyl)-3-(4-nitrophenyl)prop-2-en-1-one
- English name
- 2-Chloro-4-NitroChalcone
- Molecular formula
- C15H10ClNO3
- Molecular weight
- 287.7
Names & synonyms
SCHEMBL167406622-Chloro-4-NitroChalcone2-CHLORO-4'-NITROCHALCONEChalcone, 2-chloro-4'-nitro- (8CI)(2E)-3-(2-Chlorophenyl)-1-(4-nitrophenyl)prop-2-en-1-one
Database identifiers
- CAS
28022-03-9
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 383
Physicochemical properties
- Boiling point
- 436.687 · 436.687±45.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.347 · 1.347±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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