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123093-34-5 | 2H-[1,2,4]Triazino[3,2-a]isoquinolin-2-one, 3-phenyl-
CAS No: 123093-34-5 Catalog No: AG000K0Z MDL No:
Product Description
Catalog Number:
AG000K0Z
Chemical Name:
2H-[1,2,4]Triazino[3,2-a]isoquinolin-2-one, 3-phenyl-
CAS Number:
123093-34-5
Molecular Formula:
C17H11N3O
Molecular Weight:
273.2887
IUPAC Name:
3-phenyl-[1,2,4]triazino[3,2-a]isoquinolin-2-one
InChI:
InChI=1S/C17H11N3O/c21-17-15(13-7-2-1-3-8-13)19-20-11-10-12-6-4-5-9-14(12)16(20)18-17/h1-11H
InChI Key:
YLQIRRMNSCPUKN-UHFFFAOYSA-N
SMILES:
O=c1nc2n(nc1c1ccccc1)ccc1c2cccc1
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.09g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
273.295g/mol
Monoisotopic Mass:
273.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
45A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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