Basic information
- CAS
20973-01-7- Standard SMILES
O=C1c2cc([N+](=O)[O-])ccc2OCN1c1ccc([N+](=O)[O-])cc1- InChIKey
NMRGMQIPAOLIDS-UHFFFAOYSA-N- Molecular formula
- C14H9N3O6
- Average molar mass
- 315.24 g/mol
- Monoisotopic mass
- 315.04913502
Names & identifiers
- Preferred name
- 4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(p-nitrophenyl)-
- IUPAC
- 6-nitro-3-(4-nitrophenyl)-2H-1,3-benzoxazin-4-one
- English name
- 6-Nitro-3-(4-nitrophenyl)-2H-1,3-benzoxazin-4(3H)-one
- Molecular formula
- C14H9N3O6
- Molecular weight
- 315.24
Names & synonyms
BRN 160256020973-01-74H-1,3-BENZOXAZIN-4-ONE, 2,3-DIHYDRO-6-NITRO-3-(p-NITROPHENYL)-DTXSID501751562,3-Dihydro-6-nitro-3-(p-nitrophenyl)-4H-1,3-benzoxazin-4-oneRefChem:297029DTXCID20976476-Nitro-3-(4-nitrophenyl)-2H-1,3-benzoxazin-4(3H)-one6-Nitro-3-(4-nitrophenyl)-2,3-dihydro-4H-1,3-benzoxazin-4-one4H-1,3-Benzoxazin-4-one, 2,3-dihydro-6-nitro-3-(4-nitrophenyl)-
Database identifiers
- CAS
20973-01-7- PubChem CID
- 30405
- DTXSID
DTXSID50175156- Nikkaji
- J67.836H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 121 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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