Home Nitriles 2-(trifluoromethyl)thiophene-3-carbonitrile

2-(trifluoromethyl)thiophene-3-carbonitrile

CAS No.:
2060062-40-8
Catalog Number:
AG01BS0N
Molecular Formula:
C6H2F3NS
Molecular Weight:
177.1470
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Product Description
Catalog Number:
AG01BS0N
Chemical Name:
2-(trifluoromethyl)thiophene-3-carbonitrile
CAS Number:
2060062-40-8
Molecular Formula:
C6H2F3NS
Molecular Weight:
177.1470
MDL Number:
MFCD30183548
IUPAC Name:
2-(trifluoromethyl)thiophene-3-carbonitrile
InChI:
InChI=1S/C6H2F3NS/c7-6(8,9)5-4(3-10)1-2-11-5/h1-2H
InChI Key:
VRHXOKAYFCKNLU-UHFFFAOYSA-N
SMILES:
N#Cc1ccsc1C(F)(F)F
Properties
Complexity:
192  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
176.986g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
177.144g/mol
Monoisotopic Mass:
176.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
52A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties