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2-Bromo-2'-methoxyacetophenone

CAT: 0013-GTR19240294-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19240294-02Size:50 mg
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Description
2-Bromo-2'-methoxyacetophenone is a potent, irreversible MurA inhibitor with an IC50 of 0.38 μM in E. coli. This small molecule is a valuable tool for studying bacterial cell wall biosynthesis and screening for novel antimicrobial agents in both in vitro and target-based research applications.
CAS Number
31949-21-0
Field of Research
Infectious Disease & Virology
Smiles
O=C (C=1C=CC=CC1OC) CBr
Molecular Formula
C9H9BrO2
Molecular Weight
229.07
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Bromomethyl 2-methoxyphenyl ketone
CAS Number31949-21-0
PubChem CID123440
IUPAC Name2-bromo-1-(2-methoxyphenyl)ethanone
Molecular FormulaC9H9BrO2
Molecular Weight229.07
XLogP2.6
Topological Polar Surface Area26.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity159
SMILES
COC1=CC=CC=C1C(=O)CBr
InChI
InChI=1S/C9H9BrO2/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5H,6H2,1H3
InChIKey
GKNCPTLOPRDYMH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bromomethyl 2-methoxyphenyl ketone
CAS: 31949-21-0
CID: 123440
Formula: C9H9BrO2
MW: 229.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight229.07
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass227.97859
Monoisotopic Mass227.97859
Topological Polar Surface Area26.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity159
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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