Home Nitriles 3,5-Difluorobenzonitrile

3,5-Difluorobenzonitrile

CAS No.:
64248-63-1
Catalog Number:
AG0033JC
Molecular Formula:
C7H3F2N
Molecular Weight:
139.1022
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$19
- +
100g
98%
In Stock USA
United States
$62
- +
Product Description
Catalog Number:
AG0033JC
Chemical Name:
3,5-Difluorobenzonitrile
CAS Number:
64248-63-1
Molecular Formula:
C7H3F2N
Molecular Weight:
139.1022
MDL Number:
MFCD00010311
IUPAC Name:
3,5-difluorobenzonitrile
InChI:
InChI=1S/C7H3F2N/c8-6-1-5(4-10)2-7(9)3-6/h1-3H
InChI Key:
CQXZSEXZQVKCHW-UHFFFAOYSA-N
SMILES:
N#Cc1cc(F)cc(c1)F
EC Number:
264-752-3
Properties
Complexity:
150  
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:
1.8  
Literature
Title Journal
3,5-Difluorobenzonitrile: ab initio calculations, FTIR and Raman spectra. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20020701
Properties