Home Nitriles 3,5-Difluoro-4-(hydroxymethyl)benzonitrile

3,5-Difluoro-4-(hydroxymethyl)benzonitrile

CAS No.:
228421-83-8
Catalog Number:
AG00BG5A
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$267
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Product Description
Catalog Number:
AG00BG5A
Chemical Name:
3,5-Difluoro-4-(hydroxymethyl)benzonitrile
CAS Number:
228421-83-8
Molecular Formula:
C8H5F2NO
Molecular Weight:
169.1282
MDL Number:
MFCD11847159
IUPAC Name:
3,5-difluoro-4-(hydroxymethyl)benzonitrile
InChI:
InChI=1S/C8H5F2NO/c9-7-1-5(3-11)2-8(10)6(7)4-12/h1-2,12H,4H2
InChI Key:
ZHIOVKVPSNAAIW-UHFFFAOYSA-N
SMILES:
OCc1c(F)cc(cc1F)C#N
Properties
Complexity:
189  
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:
1  
Isotope Atom Count:
0
Molecular Weight:
169.131g/mol
Monoisotopic Mass:
169.034g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
44A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties