BRN 1133402
1-(7-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)propan-1-one
| Molecular Formula | C11H12N2O4 |
|---|---|
| Molecular Weight | 236.22 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 75.4 A2 |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 236.07971 |
| Heavy Atoms | 17 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 21038-11-9 |
|---|---|
| SMILES | CCC(=O)N1CC2=C(CO1)C=C(C=C2)[N+](=O)[O-] |
| InChIKey | PMMVHZSWDJDSQU-UHFFFAOYSA-N |
📖 Product Overview
BRN 1133402 (CAS: 21038-11-9) is a chemical compound with molecular formula C11H12N2O4 and molecular weight 236.22 g/mol. Its IUPAC systematic name is 1-(7-nitro-1,4-dihydro-2,3-benzoxazin-3-yl)propan-1-one.
PMMVHZSWDJDSQU-UHFFFAOYSA-N.
SMILES: CCC(=O)N1CC2=C(CO1)C=C(C=C2)[N+](=O)[O-].
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