Home Nitriles 3-Amino-5-(trifluoromethyl)benzonitrile

3-Amino-5-(trifluoromethyl)benzonitrile

CAS No.:
49674-28-4
Catalog Number:
AG00DHV3
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
98%
In Stock USA
United States
$58
- +
1g
98%
In Stock USA
United States
$138
- +
5g
98%
In Stock USA
United States
$413
- +
10g
98%
In Stock USA
United States
$688
- +
25g
98%
In Stock USA
United States
$1500
- +
Product Description
Catalog Number:
AG00DHV3
Chemical Name:
3-Amino-5-(trifluoromethyl)benzonitrile
CAS Number:
49674-28-4
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD09955455
IUPAC Name:
3-amino-5-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)6-1-5(4-12)2-7(13)3-6/h1-3H,13H2
InChI Key:
UMUDGXVSXIXLCF-UHFFFAOYSA-N
SMILES:
N#Cc1cc(N)cc(c1)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