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10561-93-0 | 12H-Benz[5,6]isoindolo[2,1-a]benzimidazole
CAS No: 10561-93-0 Catalog No: AG0084FY MDL No:
Product Description
Catalog Number:
AG0084FY
Chemical Name:
12H-Benz[5,6]isoindolo[2,1-a]benzimidazole
CAS Number:
10561-93-0
Molecular Formula:
C18H12N2
Molecular Weight:
256.3013
IUPAC Name:
3,10-diazapentacyclo[10.8.0.02,10.04,9.014,19]icosa-1(20),2,4,6,8,12,14,16,18-nonaene
InChI:
InChI=1S/C18H12N2/c1-2-6-13-10-15-14(9-12(13)5-1)11-20-17-8-4-3-7-16(17)19-18(15)20/h1-10H,11H2
InChI Key:
CQBUPYPPSHKTHC-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)cc1c(c2)Cn2c1nc1c2cccc1
NSC Number:
73747
Properties
Complexity:
382
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.1g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.308g/mol
Monoisotopic Mass:
256.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
17.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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