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203982-88-1 | 5,8-Methanophthalazine, 5,8-dihydro-1,4-diphenyl-
CAS No: 203982-88-1 Catalog No: AG002989 MDL No:
Product Description
Catalog Number:
AG002989
Chemical Name:
5,8-Methanophthalazine, 5,8-dihydro-1,4-diphenyl-
CAS Number:
203982-88-1
Molecular Formula:
C21H16N2
Molecular Weight:
296.3651
IUPAC Name:
3,6-diphenyl-4,5-diazatricyclo[6.2.1.02,7]undeca-2(7),3,5,9-tetraene
InChI:
InChI=1S/C21H16N2/c1-3-7-14(8-4-1)20-18-16-11-12-17(13-16)19(18)21(23-22-20)15-9-5-2-6-10-15/h1-12,16-17H,13H2
InChI Key:
FZEUJQLOXAQMME-UHFFFAOYSA-N
SMILES:
C1=CC2CC1c1c2c(nnc1c1ccccc1)c1ccccc1
Properties
Complexity:
407
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.131g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
296.373g/mol
Monoisotopic Mass:
296.131g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
25.8A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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