N-(2-Nitrophenyl)guanidine
Basic information
- CAS
70973-04-5- Standard SMILES
NC(N)=Nc1ccccc1[N+](=O)[O-]- InChIKey
RHZVMRZLWGSBJS-UHFFFAOYSA-N- Molecular formula
- C7H8N4O2
- Average molar mass
- 180.16 g/mol
- Monoisotopic mass
- 180.06472551
Names & identifiers
- Preferred name
- N-(2-Nitrophenyl)guanidine
- IUPAC
- 2-(2-nitrophenyl)guanidine
Names & synonyms
N-(2-Nitrophenyl)guanidine70973-04-5RefChem:360968guanidinonitrobenzeneCHEMBL609703SCHEMBL4905868SCHEMBL11183085DTXSID201311004AKOS006317184
Database identifiers
- CAS
70973-04-5- PubChem CID
- 3580940
- DTXSID
DTXSID201311004- ChEMBL
CHEMBL609703- Nikkaji
- J353.823K
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 219
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Compound notes
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