Home Nitriles 2,5-Difluorobenzonitrile

2,5-Difluorobenzonitrile

CAS No.:
64248-64-2
Catalog Number:
AG00E8NB
Molecular Formula:
C7H3F2N
Molecular Weight:
139.1022
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
25g
97%
In Stock USA
United States
$32
- +
100g
97%
In Stock USA
United States
$100
- +
500g
97%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG00E8NB
Chemical Name:
2,5-Difluorobenzonitrile
CAS Number:
64248-64-2
Molecular Formula:
C7H3F2N
Molecular Weight:
139.1022
MDL Number:
MFCD00001777
IUPAC Name:
2,5-difluorobenzonitrile
InChI:
InChI=1S/C7H3F2N/c8-6-1-2-7(9)5(3-6)4-10/h1-3H
InChI Key:
OJTMHIMQUQOLJV-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)ccc1F
EC Number:
264-753-9
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.023g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.105g/mol
Monoisotopic Mass:
139.023g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
2,4,6-trifluorobenzonitrile. Acta crystallographica. Section C, Crystal structure communications 20081101
Properties