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2940-81-0 | Pyridazino[3,4,5,6-lmn]phenanthridine (7CI,8CI,9CI)
CAS No: 2940-81-0 Catalog No: AG002Y9O MDL No:
Product Description
Catalog Number:
AG002Y9O
Chemical Name:
Pyridazino[3,4,5,6-lmn]phenanthridine (7CI,8CI,9CI)
CAS Number:
2940-81-0
Molecular Formula:
C13H9N3
Molecular Weight:
207.2307
IUPAC Name:
2,3,9-triazatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,9,11(15),12-heptaene
InChI:
InChI=1S/C13H9N3/c1-3-8-7-14-9-4-2-6-11-13(9)12(8)10(5-1)15-16-11/h1-7,15-16H
InChI Key:
SPNHEVFUBXWOHL-UHFFFAOYSA-N
SMILES:
c1cc2cnc3c4c2c(c1)nnc4ccc3
Properties
Complexity:
280
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.08g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
207.236g/mol
Monoisotopic Mass:
207.08g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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