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141187-83-9 | 1H-Pyrazole, 3-methyl-4-[2-(4-nitrophenyl)diazenyl]-1-(2,4,6-trichlorophenyl)-
CAS No: 141187-83-9 Catalog No: AG001G1G MDL No:
Product Description
Catalog Number:
AG001G1G
Chemical Name:
1H-Pyrazole, 3-methyl-4-[2-(4-nitrophenyl)diazenyl]-1-(2,4,6-trichlorophenyl)-
CAS Number:
141187-83-9
Molecular Formula:
C16H10Cl3N5O2
Molecular Weight:
410.6419
IUPAC Name:
[3-methyl-1-(2,4,6-trichlorophenyl)pyrazol-4-yl]-(4-nitrophenyl)diazene
InChI:
InChI=1S/C16H10Cl3N5O2/c1-9-15(21-20-11-2-4-12(5-3-11)24(25)26)8-23(22-9)16-13(18)6-10(17)7-14(16)19/h2-8H,1H3
InChI Key:
ZBWBLMPTLJOHKR-UHFFFAOYSA-N
SMILES:
Cc1nn(cc1N=Nc1ccc(cc1)[N+](=O)[O-])c1c(Cl)cc(cc1Cl)Cl
Properties
Complexity:
515
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
408.99g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.639g/mol
Monoisotopic Mass:
408.99g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.8
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