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Home > Nitro Compounds > 13059-46-6
13059-46-6 | Benzenesulfonic acid, 2,4,5-trimethyl-3,6-dinitro-
CAS No: 13059-46-6 Catalog No: AG000UOV MDL No:
Product Description
Catalog Number:
AG000UOV
Chemical Name:
Benzenesulfonic acid, 2,4,5-trimethyl-3,6-dinitro-
CAS Number:
13059-46-6
Molecular Formula:
C9H10N2O7S
Molecular Weight:
290.2499
IUPAC Name:
2,4,5-trimethyl-3,6-dinitrobenzenesulfonic acid
InChI:
InChI=1S/C9H10N2O7S/c1-4-5(2)8(11(14)15)9(19(16,17)18)6(3)7(4)10(12)13/h1-3H3,(H,16,17,18)
InChI Key:
OSIGDRSNJYXSDV-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1c(C)c(C)c(c(c1C)S(=O)(=O)O)[N+](=O)[O-]
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.021g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
290.246g/mol
Monoisotopic Mass:
290.021g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
154A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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