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Home Sulfos 1-(Methylsulfonyl)-4-nitrobenzene

1-(Methylsulfonyl)-4-nitrobenzene

CAS No.:
2976-30-9
Catalog Number:
AG002ZBV
Molecular Formula:
C7H7NO4S
Molecular Weight:
201.1998
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$20
- +
5g
98%
In Stock USA
United States
$73
- +
10g
98%
In Stock USA
United States
$123
- +
25g
98%
In Stock USA
United States
$218
- +
Product Description
Catalog Number:
AG002ZBV
Chemical Name:
1-(Methylsulfonyl)-4-nitrobenzene
CAS Number:
2976-30-9
Molecular Formula:
C7H7NO4S
Molecular Weight:
201.1998
MDL Number:
MFCD00047803
IUPAC Name:
1-methylsulfonyl-4-nitrobenzene
InChI:
InChI=1S/C7H7NO4S/c1-13(11,12)7-4-2-6(3-5-7)8(9)10/h2-5H,1H3
InChI Key:
XONGBDXIFQIQBN-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)S(=O)(=O)C
NSC Number:
87342
Properties
Complexity:
279  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.01g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.196g/mol
Monoisotopic Mass:
201.01g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Literature
Title Journal
1-Methyl-sulfon-yl-4-nitro-benzene. Acta crystallographica. Section E, Structure reports online 20081201
Properties