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30739-20-9

30739-20-9 | Benzene, 1-[[[dichloro(4-methylphenyl)methyl]sulfonyl]methyl]-4-methyl-

CAS No: 30739-20-9 Catalog No: AG00313L MDL No:

Product Description

Catalog Number:
AG00313L
Chemical Name:
Benzene, 1-[[[dichloro(4-methylphenyl)methyl]sulfonyl]methyl]-4-methyl-
CAS Number:
30739-20-9
Molecular Formula:
C16H16Cl2O2S
Molecular Weight:
343.2680
IUPAC Name:
1-[[dichloro-(4-methylphenyl)methyl]sulfonylmethyl]-4-methylbenzene
InChI:
InChI=1S/C16H16Cl2O2S/c1-12-3-7-14(8-4-12)11-21(19,20)16(17,18)15-9-5-13(2)6-10-15/h3-10H,11H2,1-2H3
InChI Key:
KDMUJPJGHSFDSZ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)CS(=O)(=O)C(c1ccc(cc1)C)(Cl)Cl
NSC Number:
151811

Properties

Complexity:
426  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.025g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.262g/mol
Monoisotopic Mass:
342.025g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
42.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6  

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