Home Nitriles 4-(trifluoromethyl)thiophene-3-carbonitrile

4-(trifluoromethyl)thiophene-3-carbonitrile

CAS No.:
1469043-37-5
Catalog Number:
AG01EJTY
Molecular Formula:
C6H2F3NS
Molecular Weight:
177.1470
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Product Description
Catalog Number:
AG01EJTY
Chemical Name:
4-(trifluoromethyl)thiophene-3-carbonitrile
CAS Number:
1469043-37-5
Molecular Formula:
C6H2F3NS
Molecular Weight:
177.1470
MDL Number:
MFCD21097258
IUPAC Name:
4-(trifluoromethyl)thiophene-3-carbonitrile
InChI:
InChI=1S/C6H2F3NS/c7-6(8,9)5-3-11-2-4(5)1-10/h2-3H
InChI Key:
RIXLXSRSDBGLDC-UHFFFAOYSA-N
SMILES:
N#Cc1cscc1C(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