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4252-78-2 | 2,2',4'-Trichloroacetophenone
CAS No: 4252-78-2 Catalog No: AG0032WD MDL No:MFCD00000934
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 |
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