Home Nitriles 4-(Difluoromethyl)benzonitrile

4-(Difluoromethyl)benzonitrile

CAS No.:
55805-10-2
Catalog Number:
AG003AD6
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$357
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Product Description
Catalog Number:
AG003AD6
Chemical Name:
4-(Difluoromethyl)benzonitrile
CAS Number:
55805-10-2
Molecular Formula:
C8H5F2N
Molecular Weight:
153.1288
MDL Number:
MFCD23843788
IUPAC Name:
4-(difluoromethyl)benzonitrile
InChI:
InChI=1S/C8H5F2N/c9-8(10)7-3-1-6(5-11)2-4-7/h1-4,8H
InChI Key:
UCOIWMARNIAWRV-UHFFFAOYSA-N
SMILES:
N#Cc1ccc(cc1)C(F)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:
2.3  
Properties