Home Nitriles 2-Amino-3-trifluoromethylbenzonitrile

2-Amino-3-trifluoromethylbenzonitrile

CAS No.:
58458-14-3
Catalog Number:
AG00E8ZR
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
96%
In Stock USA
United States
$13
- +
5g
96%
In Stock USA
United States
$33
- +
25g
96%
In Stock USA
United States
$132
- +
100g
96%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG00E8ZR
Chemical Name:
2-Amino-3-trifluoromethylbenzonitrile
CAS Number:
58458-14-3
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD04972665
IUPAC Name:
2-amino-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)6-3-1-2-5(4-12)7(6)13/h1-3H,13H2
InChI Key:
UHOSMRSMWHLHJO-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1N)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:
2.4  
Properties