Basic information
- CAS
18672-15-6- Standard SMILES
O=C1c2ccccc2OCN1c1ccc([N+](=O)[O-])cc1- InChIKey
RJFKAIOIBHHRQM-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-3-(p-nitrophenyl)-
- IUPAC
- 3-(4-nitrophenyl)-2H-1,3-benzoxazin-4-one
- English name
- 3-(4-Nitrophenyl)-2H-1,3-benzoxazin-4(3H)-one
- Molecular weight
- 0
Names & synonyms
18672-15-64H-1,3-BENZOXAZIN-4-ONE, 2,3-DIHYDRO-3-(p-NITROPHENYL)-BRN 15896112,3-Dihydro-3-(p-nitrophenyl)-4H-1,3-benzoxazin-4-oneDTXSID10171937RefChem:297024DTXCID70944283-(4-nitrophenyl)-2H-1,3-benzoxazin-4-one3-(4-Nitrophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one3-(4-Nitrophenyl)-2H-1,3-benzoxazin-4(3H)-one
Database identifiers
- CAS
18672-15-6- PubChem CID
- 29207
- DTXSID
DTXSID10171937- Nikkaji
- J67.837F
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
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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