Basic information
- CAS
7501-36-2- Standard SMILES
O=c1on(-c2ccccc2[N+](=O)[O-])c2ccccc12- InChIKey
CEQZBXIKOBXUTP-UHFFFAOYSA-N- Molecular formula
- C13H8N2O4
- Average molar mass
- 256.21 g/mol
- Monoisotopic mass
- 256.04840674
Names & identifiers
- Preferred name
- 1-(2-Nitrophenyl)-2,1-benzoxazol-3-one
- IUPAC
- 1-(2-nitrophenyl)-2,1-benzoxazol-3-one
Names & synonyms
1-(2-nitrophenyl)-2,1-benzoxazol-3-one7501-36-2NSC406463DTXSID90324348NSC-4064631-(2-Nitrophenyl)-2,1-benzoxazol-3(1H)-one
Database identifiers
- CAS
7501-36-2- PubChem CID
- 347673
- DTXSID
DTXSID90324348
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 381
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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