4-(5-Bromopentyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one

HCID 19813056
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Basic information

Standard SMILES
O=C1c2ccccc2OCCN1CCCCCBr
InChIKey
GWRZZXVEDOORAY-UHFFFAOYSA-N
Molecular formula
C14H18BrNO2
Average molar mass
312.2 g/mol
Monoisotopic mass
311.05209

Names & identifiers

Preferred name
4-(5-Bromopentyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one
IUPAC
4-(5-bromopentyl)-2,3-dihydro-1,4-benzoxazepin-5-one

Names & synonyms

SCHEMBL9024811GWRZZXVEDOORAY-UHFFFAOYSA-N4-(5-bromopentyl)-2,3,4,5-tetrahydro-1,4-benzoxazepin-5-one

Database identifiers

PubChem CID
19813056

Properties

Computed structural properties

XLogP
3
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
5
Heavy atoms
18

Related reactions

1 records
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Compound notes

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