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831218-57-6 | 5,5'-Bi-1,2,4-triazine, 3,3'-bis(4-methylphenyl)-
CAS No: 831218-57-6 Catalog No: AG0051JG MDL No:
Product Description
Catalog Number:
AG0051JG
Chemical Name:
5,5'-Bi-1,2,4-triazine, 3,3'-bis(4-methylphenyl)-
CAS Number:
831218-57-6
Molecular Formula:
C20H16N6
Molecular Weight:
340.3812
IUPAC Name:
3-(4-methylphenyl)-5-[3-(4-methylphenyl)-1,2,4-triazin-5-yl]-1,2,4-triazine
InChI:
InChI=1S/C20H16N6/c1-13-3-7-15(8-4-13)19-23-17(11-21-25-19)18-12-22-26-20(24-18)16-9-5-14(2)6-10-16/h3-12H,1-2H3
InChI Key:
ZZGHNKDERMBWEO-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nncc(n1)c1cnnc(n1)c1ccc(cc1)C
Properties
Complexity:
390
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.144g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
340.39g/mol
Monoisotopic Mass:
340.144g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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