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Home > Nitro Compounds > 70833-53-3
70833-53-3 | 4-[[4-(Ethylsulfonyl)-2-nitrophenyl]azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-imine
CAS No: 70833-53-3 Catalog No: AG00FOQ4 MDL No:
Product Description
Catalog Number:
AG00FOQ4
Chemical Name:
4-[[4-(Ethylsulfonyl)-2-nitrophenyl]azo]-2,4-dihydro-5-methyl-2-phenyl-3H-pyrazol-3-imine
CAS Number:
70833-53-3
IUPAC Name:
4-[(4-ethylsulfonyl-2-nitrophenyl)diazenyl]-5-methyl-2-phenyl-4H-pyrazol-3-imine
InChI:
InChI=1S/C18H18N6O4S/c1-3-29(27,28)14-9-10-15(16(11-14)24(25)26)20-21-17-12(2)22-23(18(17)19)13-7-5-4-6-8-13/h4-11,17,19H,3H2,1-2H3
InChI Key:
GDZJKHUIWOTFPS-UHFFFAOYSA-N
Properties
Complexity:
794
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
414.111g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
414.44g/mol
Monoisotopic Mass:
414.111g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
153A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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