Basic information
- CAS
18600-50-5- Standard SMILES
CN(N=O)c1cccc([N+](=O)[O-])c1- InChIKey
YDCFMXNFSOCYOU-UHFFFAOYSA-N- Molecular formula
- C7H7N3O3
- Average molar mass
- 181.15 g/mol
- Monoisotopic mass
- 181.04874109
Names & identifiers
- Preferred name
- Aniline, N-methyl-m-nitro-N-nitroso-
- IUPAC
- N-methyl-N-(3-nitrophenyl)nitrous amide
Names & synonyms
ANILINE, N-METHYL-m-NITRO-N-NITROSO-18600-50-5BRN 1842298N-Methyl-m-nitro-N-nitrosoanilineDTXSID101718314-16-00-00869 (Beilstein Handbook Reference)RefChem:319643DTXCID4094322N-methyl-N-(3-nitrophenyl)nitrous amide
Database identifiers
- CAS
18600-50-5- PubChem CID
- 29148
- DTXSID
DTXSID10171831- EC Number
- 187-865-9
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 78.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 204
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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