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7627-26-1 | 3-(4-methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline
CAS No: 7627-26-1 Catalog No: AG005709 MDL No:
Product Description
Catalog Number:
AG005709
Chemical Name:
3-(4-methylphenyl)[1,2,4]triazolo[3,4-a]isoquinoline
CAS Number:
7627-26-1
Molecular Formula:
C17H13N3
Molecular Weight:
259.3052
IUPAC Name:
3-(4-methylphenyl)-[1,2,4]triazolo[3,4-a]isoquinoline
InChI:
InChI=1S/C17H13N3/c1-12-6-8-14(9-7-12)16-18-19-17-15-5-3-2-4-13(15)10-11-20(16)17/h2-11H,1H3
InChI Key:
KYOSZNVQIYWEOX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nnc2n1ccc1c2cccc1
NSC Number:
110667
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.111g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
259.312g/mol
Monoisotopic Mass:
259.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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