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Home Nitriles 2-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile

2-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile

CAS No.:
68119-31-3
Catalog Number:
AG00FBY0
Molecular Formula:
C9H5F2NO2
Molecular Weight:
197.1383
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%(GC)
In Stock USA
United States
$91
- +
5g
98%(GC)
In Stock USA
United States
$216
- +
10g
98%(GC)
In Stock USA
United States
$340
- +
25g
98%(GC)
In Stock USA
United States
$554
- +
50g
98%(GC)
In Stock USA
United States
$971
- +
Product Description
Catalog Number:
AG00FBY0
Chemical Name:
2-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile
CAS Number:
68119-31-3
Molecular Formula:
C9H5F2NO2
Molecular Weight:
197.1383
MDL Number:
MFCD09923942
IUPAC Name:
2-(2,2-difluoro-1,3-benzodioxol-5-yl)acetonitrile
InChI:
InChI=1S/C9H5F2NO2/c10-9(11)13-7-2-1-6(3-4-12)5-8(7)14-9/h1-2,5H,3H2
InChI Key:
OGDSGFSPCQGELG-UHFFFAOYSA-N
SMILES:
N#CCc1ccc2c(c1)OC(O2)(F)F
Properties
Complexity:
273  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.029g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.141g/mol
Monoisotopic Mass:
197.029g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Properties