Home Sulfos Phenol, 2-(methylsulfonyl)-4-nitro-

Phenol, 2-(methylsulfonyl)-4-nitro-

CAS No.:
208191-64-4
Catalog Number:
AG002JK4
Molecular Formula:
C7H7NO5S
Molecular Weight:
217.1992
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Product Description
Catalog Number:
AG002JK4
Chemical Name:
Phenol, 2-(methylsulfonyl)-4-nitro-
CAS Number:
208191-64-4
Molecular Formula:
C7H7NO5S
Molecular Weight:
217.1992
MDL Number:
MFCD09025927
IUPAC Name:
2-methylsulfonyl-4-nitrophenol
InChI:
InChI=1S/C7H7NO5S/c1-14(12,13)7-4-5(8(10)11)2-3-6(7)9/h2-4,9H,1H3
InChI Key:
SFPGVYIDXBKMAD-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)C)O
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.004g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.195g/mol
Monoisotopic Mass:
217.004g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
109A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties