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Home Sulfos 2-Methanesulfonyl-4-nitroaniline

2-Methanesulfonyl-4-nitroaniline

CAS No.:
96-74-2
Catalog Number:
AG00IJQ9
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$75
- +
5g
98%
In Stock USA
United States
$250
- +
10g
98%
In Stock USA
United States
$388
- +
25g
98%
In Stock USA
United States
$775
- +
Product Description
Catalog Number:
AG00IJQ9
Chemical Name:
2-Methanesulfonyl-4-nitroaniline
CAS Number:
96-74-2
Molecular Formula:
C7H8N2O4S
Molecular Weight:
216.2144
MDL Number:
MFCD00044068
IUPAC Name:
2-methylsulfonyl-4-nitroaniline
InChI:
InChI=1S/C7H8N2O4S/c1-14(12,13)7-4-5(9(10)11)2-3-6(7)8/h2-4H,8H2,1H3
InChI Key:
KIMXIMWZIRTKCQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)C)N
EC Number:
202-529-4
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.02g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
216.211g/mol
Monoisotopic Mass:
216.02g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9  
Literature
Title Journal
Hydrogen bonding in C-substituted nitroanilines: a chain of R3 3(12)rings in 2-methanesulfonyl-4-nitroaniline. Acta crystallographica. Section C, Crystal structure communications 20040101
Properties