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2-Bromo-3'-acetyloxylacetophenone

CAT: 0572-TRC-B679325-100MGSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-B679325-100MGSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
38396-89-3
Synonyms
1-[3-(Acetyloxy)phenyl]-2-bromoethanone,Acetophenone, 2-bromo-3′-hydroxy-, acetate,1-(3-Acetoxy-phenyl)-2-bromo-ethanone,3′-Acetoxy-2-bromoacetophenone
Hazard Statement
No Data Available
Smiles
O=C(C)OC1=CC=CC(C(CBr)=O)=C1
Molecular Formula
C10H9BrO3
Molecular Weight
257.08
InChI
InChI=1S/C10H9BrO3/c1-7(12)14-9-4-2-3-8(5-9)10(13)6-11/h2-5H,6H2,1H3
Additionnal Information
IUPAC name: 3-(2-bromoacetyl)phenyl acetate
Shipping Conditions
Room Temperature

Chemical Information

3-(Bromoacetyl)phenyl acetate
CAS Number38396-89-3
PubChem CID23289276
IUPAC Name[3-(2-bromoacetyl)phenyl] acetate
Molecular FormulaC10H9BrO3
Molecular Weight257.08
XLogP2
Topological Polar Surface Area43.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Heavy Atom Count14
Formal Charge0
Complexity227
SMILES
CC(=O)OC1=CC=CC(=C1)C(=O)CBr
InChI
InChI=1S/C10H9BrO3/c1-7(12)14-9-4-2-3-8(5-9)10(13)6-11/h2-5H,6H2,1H3
InChIKey
YLJZSPJKMBFLRA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Bromoacetyl)phenyl acetate
CAS: 38396-89-3
CID: 23289276
Formula: C10H9BrO3
MW: 257.08
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight257.08
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count4
Exact Mass255.97351
Monoisotopic Mass255.97351
Topological Polar Surface Area43.4 Ų
Heavy Atom Count14
Formal Charge0
Complexity227
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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