1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride
Basic information
- CAS
55580-10-4- Standard SMILES
CCN(CC)CCO/N=C1/CCCOc2ccc(Br)cc21.Cl- InChIKey
JZJDZVLQORGTLL-MWIGPOFTSA-N- Molecular formula
- C16H24BrClN2O2
- Average molar mass
- 391.7 g/mol
- Monoisotopic mass
- 390.07097
Names & identifiers
- Preferred name
- 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride
- IUPAC
- 2-[(Z)-(7-bromo-3,4-dihydro-2H-1-benzoxepin-5-ylidene)amino]oxy-N,N-diethylethanamine;hydrochloride
Names & synonyms
1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-bromo-, O-(2-(diethylamino)ethyl)oxime, monohydrochloride55580-10-4RefChem:10549227-Bromo-3,4-dihydro-1-benzoxepin-O-(diethylaminoethyl)-5-one oxime hydrochloride
Database identifiers
- CAS
55580-10-4- PubChem CID
- 6509906
Properties
Computed structural properties
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 334
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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