Home Nitriles 3-Amino-4-(trifluoromethyl)benzonitrile

3-Amino-4-(trifluoromethyl)benzonitrile

CAS No.:
1220630-83-0
Catalog Number:
AG0016P0
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
1 week
United States
$162
- +
5g
95%
1 week
United States
$409
- +
Product Description
Catalog Number:
AG0016P0
Chemical Name:
3-Amino-4-(trifluoromethyl)benzonitrile
CAS Number:
1220630-83-0
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD18072580
IUPAC Name:
3-amino-4-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)6-2-1-5(4-12)3-7(6)13/h1-3H,13H2
InChI Key:
CZYRYIJZODSVTK-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)N)C(F)(F)F
Properties
Complexity:
227  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.04g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
186.137g/mol
Monoisotopic Mass:
186.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties