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1630-53-1 | Isoquino[3,4-b]phenanthridine
CAS No: 1630-53-1 Catalog No: AG001TM5 MDL No:
Product Description
Catalog Number:
AG001TM5
Chemical Name:
Isoquino[3,4-b]phenanthridine
CAS Number:
1630-53-1
Molecular Formula:
C20H12N2
Molecular Weight:
280.3227
IUPAC Name:
isoquinolino[3,4-b]phenanthridine
InChI:
InChI=1S/C20H12N2/c1-3-7-15-13(5-1)11-21-19-10-18-16-8-4-2-6-14(16)12-22-20(18)9-17(15)19/h1-12H
InChI Key:
YALRYGNKIHORNR-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)c1cc3ncc4c(c3cc1nc2)cccc4
NSC Number:
113085
Properties
Complexity:
371
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.1g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.33g/mol
Monoisotopic Mass:
280.1g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5
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