5-(2-Bromoacetyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine

HCID 19694255
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Basic information

Standard SMILES
O=C(CBr)N1CCCOc2ccccc21
InChIKey
TWVLAXSCTCMFTM-UHFFFAOYSA-N
Molecular formula
C11H12BrNO2
Average molar mass
270.12 g/mol

Names & identifiers

Preferred name
5-(2-Bromoacetyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine
IUPAC
2-bromo-1-(3,4-dihydro-2H-1,5-benzoxazepin-5-yl)ethanone

Names & synonyms

SCHEMBL7463400TWVLAXSCTCMFTM-UHFFFAOYSA-N5-(2-bromoacetyl)-2,3,4,5-tetrahydro-1,5-benzoxazepine

Database identifiers

PubChem CID
19694255

Properties

Computed structural properties

XLogP
2.2
Topological polar surface area
29.5 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
15

Related reactions

4 records
New reaction record

Linked notes

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