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30707-68-7 | 3H-Pyrazol-3-one, 5-[(2-chloro-5-nitrophenyl)amino]-2,4-dihydro-2-(2,4,6-trichlorophenyl)-
CAS No: 30707-68-7 Catalog No: AG003111 MDL No:MFCD00186046
Product Description
Catalog Number:
AG003111
Chemical Name:
3H-Pyrazol-3-one, 5-[(2-chloro-5-nitrophenyl)amino]-2,4-dihydro-2-(2,4,6-trichlorophenyl)-
CAS Number:
30707-68-7
Molecular Formula:
C15H8Cl4N4O3
Molecular Weight:
434.0610
MDL Number:
MFCD00186046
IUPAC Name:
5-(2-chloro-5-nitrophenyl)imino-2-(2,4,6-trichlorophenyl)pyrazolidin-3-one
InChI:
InChI=1S/C15H8Cl4N4O3/c16-7-3-10(18)15(11(19)4-7)22-14(24)6-13(21-22)20-12-5-8(23(25)26)1-2-9(12)17/h1-5H,6H2,(H,20,21)
InChI Key:
KONNKNHQEUEYPZ-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(c(c1)Cl)N1N=C(CC1=O)Nc1cc(ccc1Cl)[N+](=O)[O-]
EC Number:
250-303-9
Properties
Complexity:
590
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
433.932g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
434.054g/mol
Monoisotopic Mass:
431.935g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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