4H-1,4-Benzoxazin-3-one, 2,3-dihydro-8-chloro-4-(2-(dimethylamino)propyl)-2-methyl-6-nitro-, hydrochloride
Basic information
- CAS
57462-88-1- Standard SMILES
CC1Oc2c(Cl)cc([N+](=O)[O-])cc2N(CC(C)[NH+](C)C)C1=O.[Cl-]- InChIKey
ZWUQKUUAGYJBBG-UHFFFAOYSA-N- Molecular formula
- C14H19Cl2N3O4
- Average molar mass
- 364.2 g/mol
- Monoisotopic mass
- 363.0752615
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-8-chloro-4-(2-(dimethylamino)propyl)-2-methyl-6-nitro-, hydrochloride
- IUPAC
- 1-(8-chloro-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)propan-2-yl-dimethylazanium chloride
Names & synonyms
4H-1,4-Benzoxazin-3-one, 2,3-dihydro-8-chloro-4-(2-(dimethylamino)propyl)-2-methyl-6-nitro-, hydrochloride57462-88-1RefChem:297139
Database identifiers
- CAS
57462-88-1- PubChem CID
- 42342
Properties
Computed structural properties
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 442
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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