Home Sulfos 4-methanesulfonyl-2,6-dinitrophenol

4-methanesulfonyl-2,6-dinitrophenol

CAS No.:
53559-50-5
Catalog Number:
AG00I9JX
Molecular Formula:
C7H6N2O7S
Molecular Weight:
262.1967
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Product Description
Catalog Number:
AG00I9JX
Chemical Name:
4-methanesulfonyl-2,6-dinitrophenol
CAS Number:
53559-50-5
Molecular Formula:
C7H6N2O7S
Molecular Weight:
262.1967
MDL Number:
MFCD17167208
IUPAC Name:
4-methylsulfonyl-2,6-dinitrophenol
InChI:
InChI=1S/C7H6N2O7S/c1-17(15,16)4-2-5(8(11)12)7(10)6(3-4)9(13)14/h2-3,10H,1H3
InChI Key:
BCCYCIVHWRROCX-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1O)[N+](=O)[O-])S(=O)(=O)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:
261.99g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
262.192g/mol
Monoisotopic Mass:
261.99g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3  
Properties