4H-1,4-Benzoxazin-3-one, 2,3-dihydro-7-chloro-4-(2-diethylaminoethyl)-2-methyl-6-nitro-, hydrochloride
Basic information
- CAS
57462-65-4- Standard SMILES
CC[NH+](CC)CCN1C(=O)C(C)Oc2cc(Cl)c([N+](=O)[O-])cc21.[Cl-]- InChIKey
VBOVVOCVQISACR-UHFFFAOYSA-N- Molecular formula
- C15H21Cl2N3O4
- Average molar mass
- 378.2 g/mol
- Monoisotopic mass
- 377.0909115
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-7-chloro-4-(2-diethylaminoethyl)-2-methyl-6-nitro-, hydrochloride
- IUPAC
- 2-(7-chloro-2-methyl-6-nitro-3-oxo-1,4-benzoxazin-4-yl)ethyl-diethylazanium chloride
Names & synonyms
57462-65-44H-1,4-Benzoxazin-3-one, 2,3-dihydro-7-chloro-4-(2-diethylaminoethyl)-2-methyl-6-nitro-, hydrochlorideRefChem:297138
Database identifiers
- CAS
57462-65-4- PubChem CID
- 42312
Properties
Computed structural properties
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 441
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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