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226-65-3 | [1,2,4,5]Tetrazino[6,1-a:3,4-a']diisoquinoline(9CI)
CAS No: 226-65-3 Catalog No: AG007O1Z MDL No:
Product Description
Catalog Number:
AG007O1Z
Chemical Name:
[1,2,4,5]Tetrazino[6,1-a:3,4-a']diisoquinoline(9CI)
CAS Number:
226-65-3
Molecular Formula:
C18H12N4
Molecular Weight:
284.3147
IUPAC Name:
1,2,12,13-tetrazapentacyclo[12.8.0.03,12.04,9.015,20]docosa-2,4,6,8,10,13,15,17,19,21-decaene
InChI:
InChI=1S/C18H12N4/c1-3-7-15-13(5-1)9-11-21-17(15)19-22-12-10-14-6-2-4-8-16(14)18(22)20-21/h1-12H
InChI Key:
DXDGZBNXRWSWEV-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1nn3ccc4c(c3nn1cc2)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
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