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1468-82-2

1468-82-2 | Ethanone, 2-bromo-1-(3-thienyl)-

CAS No: 1468-82-2 Catalog No: AG001ECN MDL No:MFCD02677695

Product Description

Catalog Number:
AG001ECN
Chemical Name:
Ethanone, 2-bromo-1-(3-thienyl)-
CAS Number:
1468-82-2
Molecular Formula:
C6H5BrOS
Molecular Weight:
205.0723
MDL Number:
MFCD02677695
IUPAC Name:
2-bromo-1-thiophen-3-ylethanone
InChI:
InChI=1S/C6H5BrOS/c7-3-6(8)5-1-2-9-4-5/h1-2,4H,3H2
InChI Key:
TXEJYUFJFSPCHH-UHFFFAOYSA-N
SMILES:
BrCC(=O)c1cscc1

Properties

Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.924g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
205.069g/mol
Monoisotopic Mass:
203.924g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
45.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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