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101850-71-9 | 1H-Pyrazol-5-amine, 4-(1H-1,2,4-triazol-1-yl)-1-(2,4,6-trichlorophenyl)-
CAS No: 101850-71-9 Catalog No: AG0005QH MDL No:
Product Description
Catalog Number:
AG0005QH
Chemical Name:
1H-Pyrazol-5-amine, 4-(1H-1,2,4-triazol-1-yl)-1-(2,4,6-trichlorophenyl)-
CAS Number:
101850-71-9
Molecular Formula:
C11H7Cl3N6
Molecular Weight:
329.5725
IUPAC Name:
4-(1,2,4-triazol-1-yl)-2-(2,4,6-trichlorophenyl)pyrazol-3-amine
InChI:
InChI=1S/C11H7Cl3N6/c12-6-1-7(13)10(8(14)2-6)20-11(15)9(3-17-20)19-5-16-4-18-19/h1-5H,15H2
InChI Key:
IMCIEMJWRHEIOG-UHFFFAOYSA-N
SMILES:
Clc1cc(Cl)c(c(c1)Cl)n1ncc(c1N)n1cncn1
Properties
Complexity:
336
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.98g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
329.569g/mol
Monoisotopic Mass:
327.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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