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109855-81-4 | Isoquinoline, 6-(2-azidophenyl)-5,8-dimethyl-
CAS No: 109855-81-4 Catalog No: AG007WDL MDL No:
Product Description
Catalog Number:
AG007WDL
Chemical Name:
Isoquinoline, 6-(2-azidophenyl)-5,8-dimethyl-
CAS Number:
109855-81-4
Molecular Formula:
C17H14N4
Molecular Weight:
274.3199
IUPAC Name:
6-(2-azidophenyl)-5,8-dimethylisoquinoline
InChI:
InChI=1S/C17H14N4/c1-11-9-15(12(2)13-7-8-19-10-16(11)13)14-5-3-4-6-17(14)20-21-18/h3-10H,1-2H3
InChI Key:
ZEYBINXLDCLIRM-UHFFFAOYSA-N
SMILES:
[N-]=[N+]=Nc1ccccc1c1cc(C)c2c(c1C)ccnc2
Properties
Complexity:
404
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.122g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.327g/mol
Monoisotopic Mass:
274.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
27.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.4
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