5-(2-Bromoacetylamino)-2,3,4,5-tetrahydro-1-benzoxepine

HCID 19694270
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Basic information

Standard SMILES
O=C(CBr)NC1CCCOc2ccccc21
InChIKey
FBBIFIBVOSUOAI-UHFFFAOYSA-N
Molecular formula
C12H14BrNO2
Average molar mass
284.15 g/mol
Monoisotopic mass
283.02079

Names & identifiers

Preferred name
5-(2-Bromoacetylamino)-2,3,4,5-tetrahydro-1-benzoxepine
IUPAC
2-bromo-N-(2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide

Names & synonyms

SCHEMBL7469538FBBIFIBVOSUOAI-UHFFFAOYSA-N5-(2-bromoacetylamino)-2,3,4,5-tetrahydro-1-benzoxepine

Database identifiers

PubChem CID
19694270

Properties

Computed structural properties

XLogP
2.3
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
2
Heavy atoms
16

Related reactions

4 records
New reaction record

Linked notes

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