7-(4-Chlorophenyl)-2-methyloxazepane

HCID 548259

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Basic information

CAS: 3358-91-6
Standard SMILES: CN1CCCCC(c2ccc(Cl)cc2)O1
InChIKey: OHUSWGXRTZCANN-UHFFFAOYSA-N
Molecular formula: C12H16ClNO
Average molar mass: 225.71 g/mol
Monoisotopic mass: 225.0920418

Names & identifiers

Preferred name: 7-(4-Chlorophenyl)-2-methyloxazepane
IUPAC: 7-(4-chlorophenyl)-2-methyloxazepane
English name: 7-(p-Chlorophenyl)hexahydro-2-methyl-1,2-oxazepine
Molecular formula: C12H16ClNO
Molecular weight: 225.71

Names & synonyms

7-(4-chlorophenyl)-2-methyloxazepane3358-91-6DTXSID30338308RefChem:310112DTXCID602893947-(4-Chlorophenyl)-2-methyl-1,2-oxazepane7-(p-Chlorophenyl)hexahydro-2-methyl-1,2-oxazepine1,2-Oxazepine, 7-(p-chlorophenyl)hexahydro-2-methyl-OHUSWGXRTZCANN-UHFFFAOYSA-N7-(4-Chlorophenyl)-2-methyl-1,2-oxazepane #1,2-Oxazepine, 7-(4-chlorophenyl)hexahydro-2-methyl-

Database identifiers

CAS: 3358-91-6
PubChem CID: 548259
DTXSID: DTXSID30338308
Nikkaji: J104.617I

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 12.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 192

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