Basic information
- CAS
29605-80-9- Standard SMILES
NC(=O)NOCc1cccc([N+](=O)[O-])c1- InChIKey
MGSHXJQWMVRTIE-UHFFFAOYSA-N- Molecular formula
- C8H9N3O4
- Average molar mass
- 211.17 g/mol
- Monoisotopic mass
- 211.05930578
Names & identifiers
- Preferred name
- Urea, ((m-nitrobenzyl)oxy)-
- IUPAC
- (3-nitrophenyl)methoxyurea
Names & synonyms
Urea, ((m-nitrobenzyl)oxy)-((m-Nitrobenzyl)oxy)ureaBRN 227797129605-80-9DTXSID20183788NSC 125363RefChem:387066DTXCID60106279NSC125363N-[(3-Nitrophenyl)methoxy]ureaNSC-125363
Database identifiers
- CAS
29605-80-9- PubChem CID
- 97465
- DTXSID
DTXSID20183788
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 241
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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