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86870-09-9 | 1,2,4-Triazolo[4,3-b][1,2,4]triazine,6,7-bis(4-chlorophenyl)-3-methyl-
CAS No: 86870-09-9 Catalog No: AG004PH9 MDL No:
Product Description
Catalog Number:
AG004PH9
Chemical Name:
1,2,4-Triazolo[4,3-b][1,2,4]triazine,6,7-bis(4-chlorophenyl)-3-methyl-
CAS Number:
86870-09-9
Molecular Formula:
C17H11Cl2N5
Molecular Weight:
356.2087
IUPAC Name:
6,7-bis(4-chlorophenyl)-3-methyl-[1,2,4]triazolo[4,3-b][1,2,4]triazine
InChI:
InChI=1S/C17H11Cl2N5/c1-10-21-22-17-20-15(11-2-6-13(18)7-3-11)16(23-24(10)17)12-4-8-14(19)9-5-12/h2-9H,1H3
InChI Key:
GPYBDZIRNVCRQB-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nn2c(C)nnc2nc1c1ccc(cc1)Cl
Properties
Complexity:
423
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.039g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
356.21g/mol
Monoisotopic Mass:
355.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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