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Home Nitriles 4-Amino-2-(trifluoromethyl)benzonitrile

4-Amino-2-(trifluoromethyl)benzonitrile

CAS No.:
654-70-6
Catalog Number:
AG003HYG
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$10
- +
25g
95%
In Stock USA
United States
$18
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$200
- +
Product Description
Catalog Number:
AG003HYG
Chemical Name:
4-Amino-2-(trifluoromethyl)benzonitrile
CAS Number:
654-70-6
Molecular Formula:
C8H5F3N2
Molecular Weight:
186.1339
MDL Number:
MFCD00042155
IUPAC Name:
4-amino-2-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H5F3N2/c9-8(10,11)7-3-6(13)2-1-5(7)4-12/h1-3H,13H2
InChI Key:
PMDYLCUKSLBUHO-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1C(F)(F)F)N
UNII:
L47D9XHC08
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  
Literature
Title Journal
New anacardic acid-inspired benzamides: histone lysine acetyltransferase activators. ChemMedChem 20100903
Properties