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Home Other Building Blocks 2-Chloro-4'-fluoroacetophenone

2-Chloro-4'-fluoroacetophenone

CAS No.:
456-04-2
Catalog Number:
AG003B70
Molecular Formula:
C8H6ClFO
Molecular Weight:
172.5840
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
97%
In Stock USA
United States
$13
- +
25g
97%
In Stock USA
United States
$19
- +
100g
97%
In Stock USA
United States
$57
- +
Product Description
Catalog Number:
AG003B70
Chemical Name:
2-Chloro-4'-fluoroacetophenone
CAS Number:
456-04-2
Molecular Formula:
C8H6ClFO
Molecular Weight:
172.5840
MDL Number:
MFCD00011652
IUPAC Name:
2-chloro-1-(4-fluorophenyl)ethanone
InChI:
InChI=1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2
InChI Key:
UJZWJOQRSMOFMA-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(cc1)F
EC Number:
207-256-4
Properties
Complexity:
141  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.009g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.583g/mol
Monoisotopic Mass:
172.009g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Literature
Title Journal
1-(4-Fluoro-phen-yl)-2-(1H-1,2,4-triazol-1-yl)ethanone hemihydrate. Acta crystallographica. Section E, Structure reports online 20111201
1-(4-Fluoro-phen-yl)-2-(1H-imidazol-1-yl)ethanone. Acta crystallographica. Section E, Structure reports online 20110801
alpha-bromoacetophenone derivatives as neutral protein tyrosine phosphatase inhibitors: structure-Activity relationship. Bioorganic & medicinal chemistry letters 20021104
Properties