Home Halogens 2,2',4'-Trichloroacetophenone

2,2',4'-Trichloroacetophenone

CAS No.:
4252-78-2
Catalog Number:
AG0032WD
Molecular Formula:
C8H5Cl3O
Molecular Weight:
223.4837
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
5g
98%
In Stock USA
United States
$13
- +
25g
98%
In Stock USA
United States
$25
- +
100g
98%
In Stock USA
United States
$63
- +
500g
98%
In Stock USA
United States
$225
- +
Product Description
Catalog Number:
AG0032WD
Chemical Name:
2,2',4'-Trichloroacetophenone
CAS Number:
4252-78-2
Molecular Formula:
C8H5Cl3O
Molecular Weight:
223.4837
MDL Number:
MFCD00000934
IUPAC Name:
2-chloro-1-(2,4-dichlorophenyl)ethanone
InChI:
InChI=1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2
InChI Key:
VYWPPRLJNVHPEU-UHFFFAOYSA-N
SMILES:
ClCC(=O)c1ccc(cc1Cl)Cl
EC Number:
224-218-2
UNII:
2E35P7HJI2
UN Number:
1759
Properties
Complexity:
172  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.941g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.477g/mol
Monoisotopic Mass:
221.941g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5  
Literature
Title Journal
2-(2,4-Dichloro-phen-yl)-2-oxoethyl 4-meth-oxy-benzoate. Acta crystallographica. Section E, Structure reports online 20111201
Properties