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106653-30-9 | 2-(1H-1,2,3-Benzotriazol-1-yl)quinoline
CAS No: 106653-30-9 Catalog No: AG01FC64 MDL No:
Product Description
Catalog Number:
AG01FC64
Chemical Name:
2-(1H-1,2,3-Benzotriazol-1-yl)quinoline
CAS Number:
106653-30-9
Molecular Formula:
C15H10N4
Molecular Weight:
246.2667
IUPAC Name:
2-(benzotriazol-1-yl)quinoline
InChI:
InChI=1S/C15H10N4/c1-2-6-12-11(5-1)9-10-15(16-12)19-14-8-4-3-7-13(14)17-18-19/h1-10H
InChI Key:
UOACPFPBTFMSKY-UHFFFAOYSA-N
SMILES:
c1ccc2c(c1)nc(cc2)n1nnc2c1cccc2
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.091g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
246.273g/mol
Monoisotopic Mass:
246.091g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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