Home Nitriles {[4-amino-3-(trifluoromethyl)phenyl]sulfanyl}formonitrile

{[4-amino-3-(trifluoromethyl)phenyl]sulfanyl}formonitrile

CAS No.:
68672-37-7
Catalog Number:
AG01BH0V
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG01BH0V
Chemical Name:
{[4-amino-3-(trifluoromethyl)phenyl]sulfanyl}formonitrile
CAS Number:
68672-37-7
MDL Number:
MFCD16992773
IUPAC Name:
[4-amino-3-(trifluoromethyl)phenyl] thiocyanate
InChI:
InChI=1S/C8H5F3N2S/c9-8(10,11)6-3-5(14-4-12)1-2-7(6)13/h1-3H,13H2
InChI Key:
AVAVGEJYYHSTIT-UHFFFAOYSA-N
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.013g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
218.197g/mol
Monoisotopic Mass:
218.013g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties