Basic information
- CAS
4323-51-7- Standard SMILES
NC(N)=NC(=O)Nc1ccc([N+](=O)[O-])cc1- InChIKey
WEHHYSRGQSXGGN-UHFFFAOYSA-N- Molecular formula
- C8H9N5O3
- Average molar mass
- 223.19 g/mol
- Monoisotopic mass
- 223.07053917
Names & identifiers
- Preferred name
- Nitroguanil free base
- IUPAC
- 1-(diaminomethylidene)-3-(4-nitrophenyl)urea
Names & synonyms
Nitroguanil free base9D11IND8AOUrea, 1-amidino-3-(p-nitrophenyl)-UNII-9D11IND8AOUrea, N-(aminoiminomethyl)-N'-(4-nitrophenyl)-4323-51-7RefChem:2022941-amidino-3-p-nitrophenylureaCHEMBL3272431SCHEMBL11137991
Database identifiers
- CAS
4323-51-7- PubChem CID
- 5823
- ChEMBL
CHEMBL3272431- UNII
- 9D11IND8AO
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 139 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 299
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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