Home Nitriles 3,5-Bis(trifluoromethyl)benzonitrile

3,5-Bis(trifluoromethyl)benzonitrile

CAS No.:
27126-93-8
Catalog Number:
AG0033J1
Molecular Formula:
C9H3F6N
Molecular Weight:
239.1172
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$13
- +
25g
95%
In Stock USA
United States
$33
- +
100g
98%
In Stock USA
United States
$113
- +
500g
98%
In Stock USA
United States
$525
- +
Product Description
Catalog Number:
AG0033J1
Chemical Name:
3,5-Bis(trifluoromethyl)benzonitrile
CAS Number:
27126-93-8
Molecular Formula:
C9H3F6N
Molecular Weight:
239.1172
MDL Number:
MFCD00000379
IUPAC Name:
3,5-bis(trifluoromethyl)benzonitrile
InChI:
InChI=1S/C9H3F6N/c10-8(11,12)6-1-5(4-16)2-7(3-6)9(13,14)15/h1-3H
InChI Key:
CZKHHAOIHXHOSR-UHFFFAOYSA-N
SMILES:
N#Cc1cc(cc(c1)C(F)(F)F)C(F)(F)F
EC Number:
248-240-7
NSC Number:
88316
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.017g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
239.12g/mol
Monoisotopic Mass:
239.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4  
Properties