Basic information
- CAS
7404-11-7- Standard SMILES
N#CC(c1ccccc1)N(C(N)=O)c1ccccc1- InChIKey
HKWHYCGBDQRTGS-UHFFFAOYSA-N- Molecular formula
- C15H13N3O
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.10586205
Names & identifiers
- Preferred name
- 1-[Cyano(phenyl)methyl]-1-phenylurea
- IUPAC
- 1-[cyano(phenyl)methyl]-1-phenylurea
Names & synonyms
7404-11-71-[cyano(phenyl)methyl]-1-phenylureaNSC403434DTXSID30323254N-[Cyano(phenyl)methyl]-N-phenylureaNSC-403434
Database identifiers
- CAS
7404-11-7- PubChem CID
- 345697
- DTXSID
DTXSID30323254
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 70.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 348
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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