Home Nitriles 3,4-Difluorobenzoylacetonitrile

3,4-Difluorobenzoylacetonitrile

CAS No.:
71682-97-8
Catalog Number:
AG00FAM4
Molecular Formula:
C9H5F2NO
Molecular Weight:
181.1389
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
100mg
95%
In Stock USA
United States
$32
- +
250mg
95%
In Stock USA
United States
$48
- +
1g
95%
In Stock USA
United States
$93
- +
Product Description
Catalog Number:
AG00FAM4
Chemical Name:
3,4-Difluorobenzoylacetonitrile
CAS Number:
71682-97-8
Molecular Formula:
C9H5F2NO
Molecular Weight:
181.1389
MDL Number:
MFCD02260781
IUPAC Name:
3-(3,4-difluorophenyl)-3-oxopropanenitrile
InChI:
InChI=1S/C9H5F2NO/c10-7-2-1-6(5-8(7)11)9(13)3-4-12/h1-2,5H,3H2
InChI Key:
DMUDJKIYVPYJNF-UHFFFAOYSA-N
SMILES:
N#CCC(=O)c1ccc(c(c1)F)F
Properties
Complexity:
245  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.034g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
181.142g/mol
Monoisotopic Mass:
181.034g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
40.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties