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142077-43-8 | 1,2,4-Triazin-3-amine, N-[(2,6-dichlorophenyl)methylene]-5,6-diphenyl-
CAS No: 142077-43-8 Catalog No: AG001HP1 MDL No:
Product Description
Catalog Number:
AG001HP1
Chemical Name:
1,2,4-Triazin-3-amine, N-[(2,6-dichlorophenyl)methylene]-5,6-diphenyl-
CAS Number:
142077-43-8
Molecular Formula:
C22H14Cl2N4
Molecular Weight:
405.2794
IUPAC Name:
1-(2,6-dichlorophenyl)-N-(5,6-diphenyl-1,2,4-triazin-3-yl)methanimine
InChI:
InChI=1S/C22H14Cl2N4/c23-18-12-7-13-19(24)17(18)14-25-22-26-20(15-8-3-1-4-9-15)21(27-28-22)16-10-5-2-6-11-16/h1-14H
InChI Key:
UOMCVUYAPNPJJF-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1C=Nc1nnc(c(n1)c1ccccc1)c1ccccc1)Cl
Properties
Complexity:
495
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.06g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.282g/mol
Monoisotopic Mass:
404.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
5.4
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