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Home > Nitro Compounds > 929972-93-0
929972-93-0 | 1,3,4-trimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl 3-nitrobenzene-1-sulfonate
CAS No: 929972-93-0 Catalog No: AG019KJP MDL No:MFCD09040545
Product Description
Catalog Number:
AG019KJP
Chemical Name:
1,3,4-trimethyl-1H-pyrazolo[3,4-b]pyridin-6-yl 3-nitrobenzene-1-sulfonate
CAS Number:
929972-93-0
Molecular Formula:
C15H14N4O5S
Molecular Weight:
362.3605
MDL Number:
MFCD09040545
IUPAC Name:
(1,3,4-trimethylpyrazolo[3,4-b]pyridin-6-yl) 3-nitrobenzenesulfonate
InChI:
InChI=1S/C15H14N4O5S/c1-9-7-13(16-15-14(9)10(2)17-18(15)3)24-25(22,23)12-6-4-5-11(8-12)19(20)21/h4-8H,1-3H3
InChI Key:
TWEPMHYCOOVYNO-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccc(c1)S(=O)(=O)Oc1cc(C)c2c(n1)n(C)nc2C
Properties
Complexity:
604
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.068g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.36g/mol
Monoisotopic Mass:
362.068g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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