Home Nitriles 3,5-Difluorophenylacetonitrile

3,5-Difluorophenylacetonitrile

CAS No.:
122376-76-5
Catalog Number:
AG003IN3
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$25
- +
25g
98%
In Stock USA
United States
$68
- +
100g
98%
In Stock USA
United States
$238
- +
Product Description
Catalog Number:
AG003IN3
Chemical Name:
3,5-Difluorophenylacetonitrile
CAS Number:
122376-76-5
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
MDL Number:
MFCD00061278
IUPAC Name:
2-(3,5-difluorophenyl)acetonitrile
InChI:
InChI=1S/C8H5F2N/c9-7-3-6(1-2-11)4-8(10)5-7/h3-5H,1H2
InChI Key:
OBMYMTSBABEPIB-UHFFFAOYSA-N
SMILES:
N#CCc1cc(F)cc(c1)F
Properties
Complexity:
162  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
153.039g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
153.132g/mol
Monoisotopic Mass:
153.039g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
23.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties