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55308-57-1 | 5,6-Dihydro-2-phenyl-s-triazolo[5,1-a]isoquinoline
CAS No: 55308-57-1 Catalog No: AG00DUAF MDL No:
Product Description
Catalog Number:
AG00DUAF
Chemical Name:
5,6-Dihydro-2-phenyl-s-triazolo[5,1-a]isoquinoline
CAS Number:
55308-57-1
IUPAC Name:
2-phenyl-5,6-dihydro-[1,2,4]triazolo[5,1-a]isoquinoline
InChI:
InChI=1S/C16H13N3/c1-2-7-13(8-3-1)15-17-16-14-9-5-4-6-12(14)10-11-19(16)18-15/h1-9H,10-11H2
InChI Key:
JYELTQXYQDVIIM-UHFFFAOYSA-N
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.111g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.301g/mol
Monoisotopic Mass:
247.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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