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Home > Nitro Compounds > 121-03-9
121-03-9 | 2-Methyl-5-nitrobenzenesulfonic acid
CAS No: 121-03-9 Catalog No: AG003B96 MDL No:MFCD00024914
Product Description
Catalog Number:
AG003B96
Chemical Name:
2-Methyl-5-nitrobenzenesulfonic acid
CAS Number:
121-03-9
Molecular Formula:
C7H7NO5S
Molecular Weight:
217.1992
MDL Number:
MFCD00024914
IUPAC Name:
2-methyl-5-nitrobenzenesulfonic acid
InChI:
InChI=1S/C7H7NO5S/c1-5-2-3-6(8(9)10)4-7(5)14(11,12)13/h2-4H,1H3,(H,11,12,13)
InChI Key:
ZDTXQHVBLWYPHS-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(c(c1)S(=O)(=O)O)C
EC Number:
204-445-3
UNII:
JBO1Z0PMOH
NSC Number:
9580
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:
0.9
Literature
| Title | Journal |
|---|---|
| 2-Hy-droxy-ethanaminium 2-methyl-5-nitro-benzene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20120901 |
| Concentrating versus non-concentrating reactors for solar photocatalytic degradation of p-nitrotoluene-o-sulfonic acid. | Water science and technology : a journal of the International Association on Water Pollution Research 20010101 |
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