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Home Nitriles 2-[4-(Difluoromethoxy)phenyl]acetonitrile

2-[4-(Difluoromethoxy)phenyl]acetonitrile

CAS No.:
41429-16-7
Catalog Number:
AG00C0JC
Molecular Formula:
C9H7F2NO
Molecular Weight:
183.1548
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$44
- +
5g
98%
In Stock USA
United States
$150
- +
25g
98%
In Stock USA
United States
$450
- +
Product Description
Catalog Number:
AG00C0JC
Chemical Name:
2-[4-(Difluoromethoxy)phenyl]acetonitrile
CAS Number:
41429-16-7
Molecular Formula:
C9H7F2NO
Molecular Weight:
183.1548
MDL Number:
MFCD00236242
IUPAC Name:
2-[4-(difluoromethoxy)phenyl]acetonitrile
InChI:
InChI=1S/C9H7F2NO/c10-9(11)13-8-3-1-7(2-4-8)5-6-12/h1-4,9H,5H2
InChI Key:
LSFWUQCOTXRZHH-UHFFFAOYSA-N
SMILES:
N#CCc1ccc(cc1)OC(F)F
Properties
Complexity:
191  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
183.05g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
183.158g/mol
Monoisotopic Mass:
183.05g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
33A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
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