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Home > Nitro Compounds > 93893-61-9
93893-61-9 | 3-[4-[[5-(1,1-DIMETHYLPROPYL)-2-HYDROXY-3-NITROPHENYL]AZO]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE
CAS No: 93893-61-9 Catalog No: AG00H8CW MDL No:
Product Description
Catalog Number:
AG00H8CW
Chemical Name:
3-[4-[[5-(1,1-DIMETHYLPROPYL)-2-HYDROXY-3-NITROPHENYL]AZO]-4,5-DIHYDRO-3-METHYL-5-OXO-1H-PYRAZOL-1-YL]BENZENESULFONAMIDE
CAS Number:
93893-61-9
Molecular Formula:
C21H24N6O6S
Molecular Weight:
488.5169
IUPAC Name:
3-[4-[[2-hydroxy-5-(2-methylbutan-2-yl)-3-nitrophenyl]diazenyl]-3-methyl-5-oxo-4H-pyrazol-1-yl]benzenesulfonamide
InChI:
InChI=1S/C21H24N6O6S/c1-5-21(3,4)13-9-16(19(28)17(10-13)27(30)31)23-24-18-12(2)25-26(20(18)29)14-7-6-8-15(11-14)34(22,32)33/h6-11,18,28H,5H2,1-4H3,(H2,22,32,33)
InChI Key:
MBPFRQUBNCXWGR-UHFFFAOYSA-N
SMILES:
CCC(c1cc(N=NC2C(=NN(C2=O)c2cccc(c2)S(=O)(=O)N)C)c(c(c1)[N+](=O)[O-])O)(C)C
EC Number:
299-651-3
Properties
Complexity:
956
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
488.148g/mol
Formal Charge:
0
Heavy Atom Count:
34
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
488.519g/mol
Monoisotopic Mass:
488.148g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
192A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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