Home Halogens 3-(bromomethyl)thiophene-2-carbonitrile

3-(bromomethyl)thiophene-2-carbonitrile

CAS No.:
99708-88-0
Catalog Number:
AG01DWY1
Molecular Formula:
C6H4BrNS
Molecular Weight:
202.0717
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Product Description
Catalog Number:
AG01DWY1
Chemical Name:
3-(bromomethyl)thiophene-2-carbonitrile
CAS Number:
99708-88-0
Molecular Formula:
C6H4BrNS
Molecular Weight:
202.0717
MDL Number:
MFCD24460523
IUPAC Name:
3-(bromomethyl)thiophene-2-carbonitrile
InChI:
InChI=1S/C6H4BrNS/c7-3-5-1-2-9-6(5)4-8/h1-2H,3H2
InChI Key:
XUWKRXZHYHXSBI-UHFFFAOYSA-N
SMILES:
BrCc1ccsc1C#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:
2.2  
Properties