4H-1,4-Benzoxazin-3-one, 2,3-dihydro-7,8-dichloro-4-(2-diethylaminoethyl)-2-methyl-, hydrochloride
Basic information
- CAS
57462-64-3- Standard SMILES
CC[NH+](CC)CCN1C(=O)C(C)Oc2c1ccc(Cl)c2Cl.[Cl-]- InChIKey
YESHDEHJHNPWDU-UHFFFAOYSA-N- Molecular formula
- C15H21Cl3N2O2
- Average molar mass
- 367.7 g/mol
- Monoisotopic mass
- 366.066861
Names & identifiers
- Preferred name
- 4H-1,4-Benzoxazin-3-one, 2,3-dihydro-7,8-dichloro-4-(2-diethylaminoethyl)-2-methyl-, hydrochloride
- IUPAC
- 2-(7,8-dichloro-2-methyl-3-oxo-1,4-benzoxazin-4-yl)ethyl-diethylazanium chloride
Names & synonyms
57462-64-34H-1,4-Benzoxazin-3-one, 2,3-dihydro-7,8-dichloro-4-(2-diethylaminoethyl)-2-methyl-, hydrochlorideRefChem:297137
Database identifiers
- CAS
57462-64-3- PubChem CID
- 42310
Properties
Computed structural properties
- Topological polar surface area
- 34 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
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