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3-bromo-2,2'-bithiophene

CAT: 0127-OR1086743Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
19690-69-8
Smiles
C1 (sccc1) c1sccc1Br

Chemical Information

3-Bromo-2,2'-bithiophene
CAS Number19690-69-8
PubChem CID3613678
IUPAC Name3-bromo-2-thiophen-2-ylthiophene
Molecular FormulaC8H5BrS2
Molecular Weight245.2
XLogP3.7
Topological Polar Surface Area56.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity140
SMILES
C1=CSC(=C1)C2=C(C=CS2)Br
InChI
InChI=1S/C8H5BrS2/c9-6-3-5-11-8(6)7-2-1-4-10-7/h1-5H
InChIKey
UYEZRRZWTSRZQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Bromo-2,2'-bithiophene
CAS: 19690-69-8
CID: 3613678
Formula: C8H5BrS2
MW: 245.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight245.2
XLogP33.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass243.90161
Monoisotopic Mass243.90161
Topological Polar Surface Area56.5 Ų
Heavy Atom Count11
Formal Charge0
Complexity140
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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