Home Nitriles 2-amino-6-(trifluoromethoxy)benzonitrile

2-amino-6-(trifluoromethoxy)benzonitrile

CAS No.:
1261861-80-6
Catalog Number:
AG01C2H5
Molecular Formula:
C8H5F3N2O
Molecular Weight:
202.1333
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Product Description
Catalog Number:
AG01C2H5
Chemical Name:
2-amino-6-(trifluoromethoxy)benzonitrile
CAS Number:
1261861-80-6
Molecular Formula:
C8H5F3N2O
Molecular Weight:
202.1333
MDL Number:
MFCD09745167
IUPAC Name:
2-amino-6-(trifluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H5F3N2O/c9-8(10,11)14-7-3-1-2-6(13)5(7)4-12/h1-3H,13H2
InChI Key:
OCOALFKBAWMSFY-UHFFFAOYSA-N
SMILES:
N#Cc1c(cccc1N)OC(F)(F)F
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.035g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
202.136g/mol
Monoisotopic Mass:
202.035g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7  
Properties