Basic information
- CAS
21038-10-8- Standard SMILES
CC(=O)N1Cc2ccc([N+](=O)[O-])cc2CO1- InChIKey
DUTLJDUDHBSLFN-UHFFFAOYSA-N- Molecular formula
- C10H10N2O4
- Average molar mass
- 222.2 g/mol
- Monoisotopic mass
- 222.0640568
Names & identifiers
- Preferred name
- 1H-2,3-Benzoxazine, 3,4-dihydro-3-acetyl-7-nitro-
- IUPAC
- 1-(7-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)ethanone
- English name
- 3-Acetyl-3,4-dihydro-7-nitro-1H-2,3-benzoxazine
- Molecular formula
- C10H10N2O4
- Molecular weight
- 222.2
Names & synonyms
21038-10-8BRN 12172321H-2,3-BENZOXAZINE, 3,4-DIHYDRO-3-ACETYL-7-NITRO-DTXSID601752433-Acetyl-7-nitro-3,4-dihydro-1H-2,3-benzoxazine1H-2,3-Benzoxazine, 3-acetyl-3,4-dihydro-7-nitro-RefChem:237270DTXCID60977341-(7-Nitro-1,4-dihydro-3H-2,3-benzoxazin-3-yl)ethan-1-one3-Acetyl-3,4-dihydro-7-nitro-1H-2,3-benzoxazineEthanone, 1-(1,4-dihydro-7-nitro-3H-2,3-benzoxazin-3-yl)-
Database identifiers
- CAS
21038-10-8- PubChem CID
- 30449
- DTXSID
DTXSID60175243- Nikkaji
- J41.925G
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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