Home Nitriles Benzonitrile, 5-5(difluoromethyl)-2-fluoro-

Benzonitrile, 5-5(difluoromethyl)-2-fluoro-

CAS No.:
934175-58-3
Catalog Number:
AG01DTN7
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$139
- +
250mg
95%
In Stock USA
United States
$252
- +
1g
95%
In Stock USA
United States
$504
- +
Product Description
Catalog Number:
AG01DTN7
Chemical Name:
Benzonitrile, 5-5(difluoromethyl)-2-fluoro-
CAS Number:
934175-58-3
Molecular Formula:
C8H4F3N
Molecular Weight:
171.1193
MDL Number:
MFCD18395398
IUPAC Name:
5-(difluoromethyl)-2-fluorobenzonitrile
InChI:
InChI=1S/C8H4F3N/c9-7-2-1-5(8(10)11)3-6(7)4-12/h1-3,8H
InChI Key:
ZUOWBZBLZCXHIY-UHFFFAOYSA-N
SMILES:
N#Cc1cc(ccc1F)C(F)F
Properties
Complexity:
196  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.03g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.122g/mol
Monoisotopic Mass:
171.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties