Basic information
- CAS
91085-79-9- Standard SMILES
O=CNC(NC=O)c1ccccc1[N+](=O)[O-]- InChIKey
XYMPZCZNXSJRPC-UHFFFAOYSA-N- Molecular formula
- C9H9N3O4
- Average molar mass
- 223.19 g/mol
- Monoisotopic mass
- 223.05930578
Names & identifiers
- Preferred name
- N-[formamido-(2-nitrophenyl)methyl]formamide
- IUPAC
- N-[formamido-(2-nitrophenyl)methyl]formamide
Names & synonyms
91085-79-9N-[formamido-(2-nitrophenyl)methyl]formamideNSC1664422-nitrobenzaldiformamideDTXSID40304599AKOS024332624NSC-166442N,N'-[(2-Nitrophenyl)methylene]diformamideN,N'-(2-NITROBENZYLIDENE)BISFORMAMIDE
Database identifiers
- CAS
91085-79-9- PubChem CID
- 296351
- DTXSID
DTXSID40304599
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 256
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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