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Home > Nitro Compounds > 125628-92-4
125628-92-4 | 1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro-
CAS No: 125628-92-4 Catalog No: AG000NZP MDL No:
Product Description
Catalog Number:
AG000NZP
Chemical Name:
1,2-Benzenediol, 5-(methylsulfonyl)-3-nitro-
CAS Number:
125628-92-4
Molecular Formula:
C7H7NO6S
Molecular Weight:
233.1986
IUPAC Name:
5-methylsulfonyl-3-nitrobenzene-1,2-diol
InChI:
InChI=1S/C7H7NO6S/c1-15(13,14)4-2-5(8(11)12)7(10)6(9)3-4/h2-3,9-10H,1H3
InChI Key:
LRINMBOHZZPHOG-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc(cc(c1O)O)S(=O)(=O)C
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.999g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
233.194g/mol
Monoisotopic Mass:
232.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
129A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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