Home Nitriles 2,3-Difluorobenzonitrile

2,3-Difluorobenzonitrile

CAS No.:
21524-39-0
Catalog Number:
AG003FIJ
Molecular Formula:
C7H3F2N
Molecular Weight:
139.1022
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$19
- +
25g
97%
In Stock USA
United States
$84
- +
100g
97%
In Stock USA
United States
$325
- +
Product Description
Catalog Number:
AG003FIJ
Chemical Name:
2,3-Difluorobenzonitrile
CAS Number:
21524-39-0
Molecular Formula:
C7H3F2N
Molecular Weight:
139.1022
MDL Number:
MFCD00009976
IUPAC Name:
2,3-difluorobenzonitrile
InChI:
InChI=1S/C7H3F2N/c8-6-3-1-2-5(4-10)7(6)9/h1-3H
InChI Key:
GKPHNZYMLJPYJJ-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1F)F
EC Number:
244-418-3
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:
1.8  
Literature
Title Journal
Ab initio calculations, FTIR and raman spectra of 2,3-difluorobenzonitrile. Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy 20011001
Properties