Benzenamine, 4-nitro-N-nitroso-
Basic information
- CAS
40078-29-3- Standard SMILES
O=NNc1ccc([N+](=O)[O-])cc1- InChIKey
HQGVXHBMWFDENZ-UHFFFAOYSA-N- Molecular formula
- C6H5N3O3
- Average molar mass
- 167.12 g/mol
- Monoisotopic mass
- 167.03309103
Names & identifiers
- Preferred name
- Benzenamine, 4-nitro-N-nitroso-
- IUPAC
- N-(4-nitrophenyl)nitrous amide
Names & synonyms
Benzenamine, 4-nitro-N-nitroso-40078-29-3DTXSID90331138RefChem:322928DTXCID90282232N-(4-nitrophenyl)nitrous amide
Database identifiers
- CAS
40078-29-3- PubChem CID
- 435585
- DTXSID
DTXSID90331138
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 171
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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