Home Nitriles 4-Fluoro-3-trifluoromethylbenzonitrile

4-Fluoro-3-trifluoromethylbenzonitrile

CAS No.:
67515-59-7
Catalog Number:
AG003LDT
Molecular Formula:
C8H3F4N
Molecular Weight:
189.1097
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
$57
- +
100g
98%
In Stock USA
United States
$163
- +
Product Description
Catalog Number:
AG003LDT
Chemical Name:
4-Fluoro-3-trifluoromethylbenzonitrile
CAS Number:
67515-59-7
Molecular Formula:
C8H3F4N
Molecular Weight:
189.1097
MDL Number:
MFCD00061284
IUPAC Name:
4-fluoro-3-(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C8H3F4N/c9-7-2-1-5(4-13)3-6(7)8(10,11)12/h1-3H
InChI Key:
CQZQCORFYSSCFY-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(c(c1)C(F)(F)F)F
Properties
Complexity:
226  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.02g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
189.113g/mol
Monoisotopic Mass:
189.02g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6  
Properties