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Home Halogens 2,2-Dichloro-1-(p-tolyl)ethanone

2,2-Dichloro-1-(p-tolyl)ethanone

CAS No.:
4974-59-8
Catalog Number:
AG006YAJ
Molecular Formula:
C9H8Cl2O
Molecular Weight:
203.0652
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1g
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United States
$199
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Product Description
Catalog Number:
AG006YAJ
Chemical Name:
2,2-Dichloro-1-(p-tolyl)ethanone
CAS Number:
4974-59-8
Molecular Formula:
C9H8Cl2O
Molecular Weight:
203.0652
MDL Number:
MFCD13172989
IUPAC Name:
2,2-dichloro-1-(4-methylphenyl)ethanone
InChI:
InChI=1S/C9H8Cl2O/c1-6-2-4-7(5-3-6)8(12)9(10)11/h2-5,9H,1H3
InChI Key:
UPIAQBGYLUPFBC-UHFFFAOYSA-N
SMILES:
ClC(C(=O)c1ccc(cc1)C)Cl
EC Number:
610-478-8
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.995g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.062g/mol
Monoisotopic Mass:
201.995g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Literature
Title Journal
2,2-Dichloro-1-(4-methyl-phen-yl)ethanone. Acta crystallographica. Section E, Structure reports online 20110201
Properties