1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl-
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Basic information
- CAS
21038-11-9- Standard SMILES
CCC(=O)N1Cc2ccc([N+](=O)[O-])cc2CO1- InChIKey
PMMVHZSWDJDSQU-UHFFFAOYSA-N- Molecular formula
- C11H12N2O4
- Average molar mass
- 236.22 g/mol
- Monoisotopic mass
- 236.07970687
Names & identifiers
- Preferred name
- 1H-2,3-Benzoxazine, 3,4-dihydro-7-nitro-3-propionyl-
- IUPAC
- 1-(7-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)propan-1-one
- English name
- 3,4-Dihydro-7-nitro-3-(1-oxopropyl)-1H-2,3-benzoxazine
- Molecular formula
- C11H12N2O4
- Molecular weight
- 236.22
Names & synonyms
BRN 113340221038-11-91H-2,3-BENZOXAZINE, 3,4-DIHYDRO-7-NITRO-3-PROPIONYL-7-Nitro-3-propionyl-3,4-dihydro-1H-2,3-benzoxazineDTXSID20175244RefChem:237285DTXCID10977351-(7-Nitro-1,4-dihydro-3H-2,3-benzoxazin-3-yl)propan-1-one3,4-Dihydro-7-nitro-3-(1-oxopropyl)-1H-2,3-benzoxazine1-Propanone, 1-(1,4-dihydro-7-nitro-3H-2,3-benzoxazin-3-yl)-
Database identifiers
- CAS
21038-11-9- PubChem CID
- 30450
- DTXSID
DTXSID20175244- Nikkaji
- J41.914A
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 315
Related reactions
0 records
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Compound notes
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