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5-Bromothiophene-2-carbaldehyde

CAT: 0013-GTR19245575-01Size: 25 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19245575-01Size:25 g
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Description
5-Bromothiophene-2-carbaldehyde is a biochemical reagent that can be used as a biomaterial for life science related research and as a sulfonylation reagent for organic synthesis and drug discovery.
CAS Number
4701-17-1
Smiles
O=CC1=CC=C (Br) S1
Molecular Formula
C5H3BrOS
Molecular Weight
191.046
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Bromothiophene-2-carbaldehyde
CAS Number4701-17-1
PubChem CID78428
IUPAC Name5-bromothiophene-2-carbaldehyde
Molecular FormulaC5H3BrOS
Molecular Weight191.05
XLogP2.4
Topological Polar Surface Area45.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count8
Formal Charge0
Complexity96
SMILES
C1=C(SC(=C1)Br)C=O
InChI
InChI=1S/C5H3BrOS/c6-5-2-1-4(3-7)8-5/h1-3H
InChIKey
GFBVUFQNHLUCPX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Bromothiophene-2-carbaldehyde
CAS: 4701-17-1
CID: 78428
Formula: C5H3BrOS
MW: 191.05
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight191.05
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass189.90880
Monoisotopic Mass189.90880
Topological Polar Surface Area45.3 Ų
Heavy Atom Count8
Formal Charge0
Complexity96.4
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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