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Home > Nitro Compounds > 831218-13-4
831218-13-4 | 1,2,4-Triazine, 3-(4-nitro-2-furanyl)-5,6-diphenyl-
CAS No: 831218-13-4 Catalog No: AG005A95 MDL No:
Product Description
Catalog Number:
AG005A95
Chemical Name:
1,2,4-Triazine, 3-(4-nitro-2-furanyl)-5,6-diphenyl-
CAS Number:
831218-13-4
Molecular Formula:
C19H12N4O3
Molecular Weight:
344.3236
IUPAC Name:
3-(4-nitrofuran-2-yl)-5,6-diphenyl-1,2,4-triazine
InChI:
InChI=1S/C19H12N4O3/c24-23(25)15-11-16(26-12-15)19-20-17(13-7-3-1-4-8-13)18(21-22-19)14-9-5-2-6-10-14/h1-12H
InChI Key:
FXPFGERYJLUGOU-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1coc(c1)c1nnc(c(n1)c1ccccc1)c1ccccc1
Properties
Complexity:
474
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.091g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
344.33g/mol
Monoisotopic Mass:
344.091g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
97.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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