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2-Acetyl-5-bromothiophene

CAT: 0024-sc-223367ASize: 25 gDry Ice: NoHazardous: No
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CAT#:0024-sc-223367ASize:25 g
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CAS Number
5370-25-2

Chemical Information

2-Acetyl-5-bromothiophene
CAS Number5370-25-2
PubChem CID79335
IUPAC Name1-(5-bromothiophen-2-yl)ethanone
Molecular FormulaC6H5BrOS
Molecular Weight205.07
XLogP2.6
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count9
Formal Charge0
Complexity126
SMILES
CC(=O)C1=CC=C(S1)Br
InChI
InChI=1S/C6H5BrOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3
InChIKey
IGBZCOWXSCWSHO-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Acetyl-5-bromothiophene
CAS: 5370-25-2
CID: 79335
Formula: C6H5BrOS
MW: 205.07
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.07
XLogP32.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass203.92445
Monoisotopic Mass203.92445
Topological Polar Surface Area45.3 Ų
Heavy Atom Count9
Formal Charge0
Complexity126
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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