Home Sulfos 2-(Methylsulfonyl)-5-nitrotoluene

2-(Methylsulfonyl)-5-nitrotoluene

CAS No.:
736997-98-1
Catalog Number:
AG003F34
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
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Product Description
Catalog Number:
AG003F34
Chemical Name:
2-(Methylsulfonyl)-5-nitrotoluene
CAS Number:
736997-98-1
Molecular Formula:
C8H9NO4S
Molecular Weight:
215.2264
MDL Number:
MFCD18431505
IUPAC Name:
2-methyl-1-methylsulfonyl-4-nitrobenzene
InChI:
InChI=1S/C8H9NO4S/c1-6-5-7(9(10)11)3-4-8(6)14(2,12)13/h3-5H,1-2H3
InChI Key:
YMHQJBGKYCHBND-UHFFFAOYSA-N
SMILES:
Cc1cc(ccc1S(=O)(=O)C)[N+](=O)[O-]
Properties
Complexity:
313  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.025g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
215.223g/mol
Monoisotopic Mass:
215.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8  
Properties