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13090-26-1 | [1,2,4,5]Tetrazino[1,6-a:4,3-a']diquinoline (9CI)
CAS No: 13090-26-1 Catalog No: AG000V3W MDL No:
Product Description
Catalog Number:
AG000V3W
Chemical Name:
[1,2,4,5]Tetrazino[1,6-a:4,3-a']diquinoline (9CI)
CAS Number:
13090-26-1
Molecular Formula:
C18H12N4
Molecular Weight:
284.3147
IUPAC Name:
2,3,13,14-tetrazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-1,4,6,8,10,12,15,17,19,21-decaene
InChI:
InChI=1S/C18H12N4/c1-3-7-15-13(5-1)9-11-17-20-22-16-8-4-2-6-14(16)10-12-18(22)19-21(15)17/h1-12H
InChI Key:
KIXNSFMKDJYUCX-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)n1nc3ccc4c(n3nc1cc2)cccc4
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.106g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.322g/mol
Monoisotopic Mass:
284.106g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
31.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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