Basic information
- CAS
20979-01-5- Standard SMILES
O=C1c2cc([N+](=O)[O-])ccc2OCN1c1ccccc1- InChIKey
ASXQIAOKRHJTKP-UHFFFAOYSA-N- Molecular formula
- C14H10N2O4
- Average molar mass
- 270.24 g/mol
- Monoisotopic mass
- 270.0640568
Names & identifiers
- Preferred name
- 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-phenyl-
- IUPAC
- 6-nitro-3-phenyl-2H-1,3-benzoxazin-4-one
- English name
- 6-Nitro-3-phenyl-2H-1,3-benzoxazin-4(3H)-one
- Molecular formula
- C14H10N2O4
- Molecular weight
- 270.24
Names & synonyms
20979-01-5BRN 15904864H-1,3-BENZOXAZIN-4-ONE, 2,3-DIHYDRO-6-NITRO-3-PHENYL-DTXSID201751832,3-Dihydro-6-nitro-3-phenyl-4H-1,3-benzoxazin-4-oneRefChem:297030DTXCID90976746-Nitro-3-phenyl-2H-1,3-benzoxazin-4(3H)-one6-nitro-3-phenyl-2,3-dihydro-4H-1,3-benzoxazin-4-one
Database identifiers
- CAS
20979-01-5- PubChem CID
- 30435
- DTXSID
DTXSID20175183- Nikkaji
- J67.838D
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 389
Physicochemical properties
- Boiling point
- 486.2 · 486.2±45.0 °C(Predicted)
- Density
- 1.415 · 1.415±0.06 g/cm3(Predicted)
- pka
- -3.23 · -3.23±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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