1-(4-Nitrophenyl)-3-(4-nitrosophenyl)urea
Basic information
- CAS
6939-96-4- Standard SMILES
O=Nc1ccc(NC(=O)Nc2ccc([N+](=O)[O-])cc2)cc1- InChIKey
XSSJIDRTHFIYQT-UHFFFAOYSA-N- Molecular formula
- C13H10N4O4
- Average molar mass
- 286.24 g/mol
- Monoisotopic mass
- 286.07020481
Names & identifiers
- Preferred name
- 1-(4-Nitrophenyl)-3-(4-nitrosophenyl)urea
- IUPAC
- 1-(4-nitrophenyl)-3-(4-nitrosophenyl)urea
Names & synonyms
1-(4-nitrophenyl)-3-(4-nitrosophenyl)urea6939-96-4NSC 38785NSC38785DTXSID20284744NSC-38785N-(4-Nitrophenyl)-N'-(4-nitrosophenyl)urea
Database identifiers
- CAS
6939-96-4- PubChem CID
- 236358
- DTXSID
DTXSID20284744
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 116 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
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Compound notes
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