Home Nitriles 3-(Difluoromethoxy)benzonitrile

3-(Difluoromethoxy)benzonitrile

CAS No.:
97582-88-2
Catalog Number:
AG006BQ2
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
250mg
1 week
United States
$64
- +
1g
1 week
United States
$82
- +
5g
1 week
United States
$205
- +
Product Description
Catalog Number:
AG006BQ2
Chemical Name:
3-(Difluoromethoxy)benzonitrile
CAS Number:
97582-88-2
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
MDL Number:
MFCD00236225
IUPAC Name:
3-(difluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H5F2NO/c9-8(10)12-7-3-1-2-6(4-7)5-11/h1-4,8H
InChI Key:
JCBOPIBHZFBHQW-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)OC(F)F
Properties
Complexity:
187  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
169.034g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
169.131g/mol
Monoisotopic Mass:
169.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties