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7639-46-5 | 3-phenoxy[1,2,4]triazolo[3,4-a]isoquinoline
CAS No: 7639-46-5 Catalog No: AG005Y4F MDL No:
Product Description
Catalog Number:
AG005Y4F
Chemical Name:
3-phenoxy[1,2,4]triazolo[3,4-a]isoquinoline
CAS Number:
7639-46-5
Molecular Formula:
C16H11N3O
Molecular Weight:
261.2780
IUPAC Name:
3-phenoxy-[1,2,4]triazolo[3,4-a]isoquinoline
InChI:
InChI=1S/C16H11N3O/c1-2-7-13(8-3-1)20-16-18-17-15-14-9-5-4-6-12(14)10-11-19(15)16/h1-11H
InChI Key:
SFHLSHFCSRQRST-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Oc1nnc2n1ccc1c2cccc1
NSC Number:
110666
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
261.284g/mol
Monoisotopic Mass:
261.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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