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Home Nitriles 4-(Difluoromethoxy)benzonitrile

4-(Difluoromethoxy)benzonitrile

CAS No.:
90446-25-6
Catalog Number:
AG006DTJ
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$68
- +
5g
95%
In Stock USA
United States
$166
- +
25g
95%
In Stock USA
United States
$535
- +
Product Description
Catalog Number:
AG006DTJ
Chemical Name:
4-(Difluoromethoxy)benzonitrile
CAS Number:
90446-25-6
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
MDL Number:
MFCD00085006
IUPAC Name:
4-(difluoromethoxy)benzonitrile
InChI:
InChI=1S/C8H5F2NO/c9-8(10)12-7-3-1-6(5-11)2-4-7/h1-4,8H
InChI Key:
OGMOYCCCAFJQKI-UHFFFAOYSA-N
SMILES:
FC(Oc1ccc(cc1)C#N)F
Properties
Complexity:
179  
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:
2.6  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties