Basic information
- CAS
20973-06-2- Standard SMILES
CCCN1COc2ccc([N+](=O)[O-])cc2C1=O- InChIKey
MPOXZAJKGVAEAB-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.07970687
Names & identifiers
- Preferred name
- 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-propyl-
- IUPAC
- 6-nitro-3-propyl-2H-1,3-benzoxazin-4-one
- English name
- 6-Nitro-3-propyl-2H-1,3-benzoxazin-4(3H)-one
- Molecular formula
- C11H12N2O4
- Molecular weight
- 236.22
Names & synonyms
20973-06-2BRN 15826224H-1,3-BENZOXAZIN-4-ONE, 2,3-DIHYDRO-6-NITRO-3-PROPYL-DTXSID301751592,3-Dihydro-6-nitro-3-propyl-4H-1,3-benzoxazin-4-one3-n-Propyl-6-nitro-2,3-dihydro-4H-1,3-benzoxazin-4-oneRefChem:297031DTXCID10976506-Nitro-3-propyl-2H-1,3-benzoxazin-4(3H)-one6-Nitro-3-propyl-2,3-dihydro-4H-1,3-benzoxazin-4-one
Database identifiers
- CAS
20973-06-2- PubChem CID
- 30409
- DTXSID
DTXSID30175159- Nikkaji
- J67.839B
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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