1-(2-(Bromomethyl)phenyl)ethanone

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Basic information

CAS: 168551-52-8
Standard SMILES: CC(=O)c1ccccc1CBr
InChIKey: XBSHRGYQEKZCHB-UHFFFAOYSA-N
Molecular formula: C9H9BrO
Average molar mass: 213.07 g/mol
Monoisotopic mass: 211.98368

Names & identifiers

Preferred name: 1-(2-(Bromomethyl)phenyl)ethanone
IUPAC: 1-[2-(bromomethyl)phenyl]ethanone

Names & synonyms

168551-52-81-[2-(bromomethyl)phenyl]ethanone1-(2-(Bromomethyl)phenyl)ethanoneRefChem:2230701-(2-(Bromomethyl)phenyl)ethan-1-oneo-bromomethylacetophenone1-[2-(Bromomethyl)phenyl]ethan-1-oneSCHEMBL8227007DTXSID901299772DB-162054

Database identifiers

CAS: 168551-52-8
PubChem CID: 14973809
DTXSID: DTXSID901299772

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 17.1 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 11
Formal charge: 0
Complexity: 144

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Compound notes

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