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Home > Nitro Compounds > 133-62-0
133-62-0 | Benzenesulfonic acid, 2-methyl-3,5-dinitro-
CAS No: 133-62-0 Catalog No: AG0011H4 MDL No:
Product Description
Catalog Number:
AG0011H4
Chemical Name:
Benzenesulfonic acid, 2-methyl-3,5-dinitro-
CAS Number:
133-62-0
Molecular Formula:
C7H6N2O7S
Molecular Weight:
262.1967
IUPAC Name:
2-methyl-3,5-dinitrobenzenesulfonic acid
InChI:
InChI=1S/C7H6N2O7S/c1-4-6(9(12)13)2-5(8(10)11)3-7(4)17(14,15)16/h2-3H,1H3,(H,14,15,16)
InChI Key:
KFHPDUJFQBXXQY-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cc([N+](=O)[O-])c(c(c1)S(=O)(=O)O)C
Properties
Complexity:
417
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:
0.7
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