Basic information
- CAS
126245-52-1- Standard SMILES
N#CC(=Cc1ccc(Cl)cc1)C(=O)NC(N)=O- InChIKey
TULDSTUSTBAXAC-UHFFFAOYSA-N- Molecular formula
- C11H8ClN3O2
- Average molar mass
- 249.65 g/mol
- Monoisotopic mass
- 249.0305042
Names & identifiers
- Preferred name
- 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano-
- IUPAC
- N-carbamoyl-3-(4-chlorophenyl)-2-cyanoprop-2-enamide
Names & synonyms
126245-52-1N-carbamoyl-3-(4-chlorophenyl)-2-cyanoprop-2-enamide2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano-DTXSID10313471
Database identifiers
- CAS
126245-52-1- PubChem CID
- 321114
- DTXSID
DTXSID10313471
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 96 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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