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2-Bromo-2'-methoxyacetophenone

CAT: 0931-T201807-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0931-T201807-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
31949-21-0
Target
Antibacterial
Related Pathways
Microbiology/Virology
Bioactivity
2-Bromo-2'-methoxyacetophenone acts as an irreversible inhibitor of MurA, effectively inhibiting MurA in E. coli with an IC50 of 0.38 μM. This compound helps inhibit bacterial cell wall synthesis, making it useful in antimicrobial research.
Smiles
O=C(C=1C=CC=CC1OC)CBr
Molecular Formula
C9H9BrO2
Molecular Weight
229.07
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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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