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88496-49-5

88496-49-5 | Pyridine, 4-chloro-2-[[(2,5-dimethylphenyl)methyl]sulfonyl]-

CAS No: 88496-49-5 Catalog No: AG0049Q8 MDL No:

Product Description

Catalog Number:
AG0049Q8
Chemical Name:
Pyridine, 4-chloro-2-[[(2,5-dimethylphenyl)methyl]sulfonyl]-
CAS Number:
88496-49-5
Molecular Formula:
C14H14ClNO2S
Molecular Weight:
295.7845
IUPAC Name:
4-chloro-2-[(2,5-dimethylphenyl)methylsulfonyl]pyridine
InChI:
InChI=1S/C14H14ClNO2S/c1-10-3-4-11(2)12(7-10)9-19(17,18)14-8-13(15)5-6-16-14/h3-8H,9H2,1-2H3
InChI Key:
VEFZIYYIVFZUMF-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)CS(=O)(=O)c1nccc(c1)Cl)C

Properties

Complexity:
393  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
295.043g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
295.781g/mol
Monoisotopic Mass:
295.043g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
55.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3  

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