(4-Bromophenyl)(1,4-oxazepan-4-yl)methanone
Basic information
- CAS
1191616-76-8- Standard SMILES
O=C(c1ccc(Br)cc1)N1CCCOCC1- InChIKey
SOJJURCHTIZBAU-UHFFFAOYSA-N- Molecular formula
- C12H14BrNO2
- Average molar mass
- 284.15 g/mol
- Monoisotopic mass
- 283.02079
Names & identifiers
- Preferred name
- (4-Bromophenyl)(1,4-oxazepan-4-yl)methanone
- IUPAC
- (4-bromophenyl)-(1,4-oxazepan-4-yl)methanone
Names & synonyms
(4-bromophenyl)(1,4-oxazepan-4-yl)methanone1191616-76-8SCHEMBL969802DTXSID901181604AKOS011337564I71009Methanone, (4-bromophenyl)(tetrahydro-1,4-oxazepin-4(5H)-yl)-
Database identifiers
- CAS
1191616-76-8- PubChem CID
- 62060047
- DTXSID
DTXSID901181604
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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