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

4-amino-3-(trifluoromethyl)benzonitrile

CAS No.:
327-74-2
Catalog Number:
AG003GGV
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$13
- +
5g
98%
In Stock USA
United States
$19
- +
25g
98%
In Stock USA
United States
$69
- +
100g
98%
In Stock USA
United States
$188
- +
Product Description
Catalog Number:
AG003GGV
Chemical Name:
4-amino-3-(trifluoromethyl)benzonitrile
CAS Number:
327-74-2
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD00275473
IUPAC Name:
4-amino-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)6-3-5(4-12)1-2-7(6)13/h1-3H,13H2
InChI Key:
MWLZJOBGDXBMBP-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(F)(F)F)N
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