Basic information
- CAS
55579-96-9- Standard SMILES
Cl.Clc1ccc2c(c1)/C(=N\OCCN1CCOCC1)CCCO2- InChIKey
ZHXZXUACDPKJON-MWIGPOFTSA-N- Molecular formula
- C16H22Cl2N2O3
- Average molar mass
- 361.3 g/mol
- Monoisotopic mass
- 360.100748
Names & identifiers
- Preferred name
- 1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-chloro-, O-(2-(4-morpholinyl)ethyl)oxime, monohydrochloride
- IUPAC
- (Z)-7-chloro-N-(2-morpholin-4-ylethoxy)-3,4-dihydro-2H-1-benzoxepin-5-imine;hydrochloride
Names & synonyms
1-Benzoxepin-5(2H)-one, 3,4-dihydro-7-chloro-, O-(2-(4-morpholinyl)ethyl)oxime, monohydrochloride55579-96-9RefChem:10549247-Chloro-3,4-dihydro-1-benzoxepin-O-(morpholinoethyl)-5-one oxime hydrochloride
Database identifiers
- CAS
55579-96-9- PubChem CID
- 6509902
Properties
Computed structural properties
- Topological polar surface area
- 43.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 374
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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