Basic information
- CAS
325763-69-7- Standard SMILES
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)C=Cc1ccc(Cl)cc1- InChIKey
LZNFDNXMPWZRRW-UHFFFAOYSA-N- Molecular formula
- C16H10ClN3O3
- Average molar mass
- 327.72 g/mol
- Monoisotopic mass
- 327.0410689
Names & identifiers
- Preferred name
- 3-(4-chlorophenyl)-N-(2-cyano-4-nitrophenyl)prop-2-enamide
- IUPAC
- 3-(4-chlorophenyl)-N-(2-cyano-4-nitrophenyl)prop-2-enamide
Names & synonyms
3-(4-Chlorophenyl)-N-(2-cyano-4-nitrophenyl)-2-propenamide3-(4-chlorophenyl)-N-(2-cyano-4-nitrophenyl)prop-2-enamideDTXSID001194690AKOS030659463325763-69-7
Database identifiers
- CAS
325763-69-7- PubChem CID
- 3583643
- DTXSID
DTXSID001194690
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 514
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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