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70111-79-4 | Imidazo[1,2-b][1,2,4]triazine,6-(4-nitrophenyl)-2,3-diphenyl-
CAS No: 70111-79-4 Catalog No: AG005LJX MDL No:
Product Description
Catalog Number:
AG005LJX
Chemical Name:
Imidazo[1,2-b][1,2,4]triazine,6-(4-nitrophenyl)-2,3-diphenyl-
CAS Number:
70111-79-4
Molecular Formula:
C23H15N5O2
Molecular Weight:
393.3975
IUPAC Name:
6-(4-nitrophenyl)-2,3-diphenylimidazo[1,2-b][1,2,4]triazine
InChI:
InChI=1S/C23H15N5O2/c29-28(30)19-13-11-16(12-14-19)20-15-27-23(24-20)25-21(17-7-3-1-4-8-17)22(26-27)18-9-5-2-6-10-18/h1-15H
InChI Key:
DJMMARPQZKCTMW-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1ccc(cc1)c1nc2n(c1)nc(c(n2)c1ccccc1)c1ccccc1
NSC Number:
376783
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
393.123g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
393.406g/mol
Monoisotopic Mass:
393.123g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
88.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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