Home Halogens 2-Thiopheneacetonitrile, 4-bromo-

2-Thiopheneacetonitrile, 4-bromo-

CAS No.:
160005-43-6
Catalog Number:
AG001RLQ
Molecular Formula:
C6H4BrNS
Molecular Weight:
202.0717
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Product Description
Catalog Number:
AG001RLQ
Chemical Name:
2-Thiopheneacetonitrile, 4-bromo-
CAS Number:
160005-43-6
Molecular Formula:
C6H4BrNS
Molecular Weight:
202.0717
IUPAC Name:
2-(4-bromothiophen-2-yl)acetonitrile
InChI:
InChI=1S/C6H4BrNS/c7-5-3-6(1-2-8)9-4-5/h3-4H,1H2
InChI Key:
PBIOBPCDJCIIOW-UHFFFAOYSA-N
SMILES:
Brc1cc(sc1)CC#N
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
200.925g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.069g/mol
Monoisotopic Mass:
200.925g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Properties