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Home Other Building Blocks 2-Chloro-2',4'-difluoroacetophenone

2-Chloro-2',4'-difluoroacetophenone

CAS No.:
51336-94-8
Catalog Number:
AG003374
Molecular Formula:
C8H5ClF2O
Molecular Weight:
190.5745
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
95%
In Stock USA
United States
$19
- +
25g
95%
In Stock USA
United States
$57
- +
100g
98%
In Stock USA
United States
$150
- +
500g
98%
In Stock USA
United States
$600
- +
Product Description
Catalog Number:
AG003374
Chemical Name:
2-Chloro-2',4'-difluoroacetophenone
CAS Number:
51336-94-8
Molecular Formula:
C8H5ClF2O
Molecular Weight:
190.5745
MDL Number:
MFCD00013252
IUPAC Name:
2-chloro-1-(2,4-difluorophenyl)ethanone
InChI:
InChI=1S/C8H5ClF2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChI Key:
UENGBOCGGKLVJJ-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(cc1F)F
EC Number:
620-343-5
Properties
Complexity:
174  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.574g/mol
Monoisotopic Mass:
190g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Enantioselective nitrile anion cyclization to substituted pyrrolidines. A highly efficient synthesis of (3S,4R)-N-tert-butyl-4-arylpyrrolidine-3-carboxylic acid. The Journal of organic chemistry 20050429
alpha-bromoacetophenone derivatives as neutral protein tyrosine phosphatase inhibitors: structure-Activity relationship. Bioorganic & medicinal chemistry letters 20021104
Properties