Basic information
- CAS
33047-93-7- Standard SMILES
O=C1Nc2ccc([N+](=O)[O-])cc2C(c2ccccc2)O1- InChIKey
CXTUQAKALOMIKK-UHFFFAOYSA-N- Molecular formula
- C14H10N2O4
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.0640568
Names & identifiers
- Preferred name
- 2H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-nitro-4-phenyl-
- IUPAC
- 6-nitro-4-phenyl-1,4-dihydro-3,1-benzoxazin-2-one
Names & synonyms
33047-93-72H-3,1-Benzoxazin-2-one, 1,4-dihydro-6-nitro-4-phenyl-RefChem:1065213BRN 12209564-Phenyl-6-nitro-1,4-dihydro-2H-3,1-benzoxazin-2-one1,4-Dihydro-6-nitro-4-phenyl-2H-3,1-benzoxazin-2-oneSCHEMBL3378813DTXSID309546686-Nitro-4-phenyl-4H-3,1-benzoxazin-2-ol
Database identifiers
- CAS
33047-93-7- PubChem CID
- 208802
- DTXSID
DTXSID30954668
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 389
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…