Home Halogens 2-(3-chlorothiophen-2-yl)acetonitrile

2-(3-chlorothiophen-2-yl)acetonitrile

CAS No.:
880165-67-3
Catalog Number:
AG01DWS1
Molecular Formula:
C6H4ClNS
Molecular Weight:
157.6207
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Product Description
Catalog Number:
AG01DWS1
Chemical Name:
2-(3-chlorothiophen-2-yl)acetonitrile
CAS Number:
880165-67-3
Molecular Formula:
C6H4ClNS
Molecular Weight:
157.6207
MDL Number:
MFCD16606492
IUPAC Name:
2-(3-chlorothiophen-2-yl)acetonitrile
InChI:
InChI=1S/C6H4ClNS/c7-5-2-4-9-6(5)1-3-8/h2,4H,1H2
InChI Key:
IWXYHROBLDJMLK-UHFFFAOYSA-N
SMILES:
N#CCc1sccc1Cl
Properties
Complexity:
139  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
156.975g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
157.615g/mol
Monoisotopic Mass:
156.975g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties