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864863-68-3 | Quinoline, 6-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-
CAS No: 864863-68-3 Catalog No: AG004Q8F MDL No:
Product Description
Catalog Number:
AG004Q8F
Chemical Name:
Quinoline, 6-(5-methyl-1-phenyl-1H-1,2,3-triazol-4-yl)-
CAS Number:
864863-68-3
Molecular Formula:
C18H14N4
Molecular Weight:
286.3306
IUPAC Name:
6-(5-methyl-1-phenyltriazol-4-yl)quinoline
InChI:
InChI=1S/C18H14N4/c1-13-18(20-21-22(13)16-7-3-2-4-8-16)15-9-10-17-14(12-15)6-5-11-19-17/h2-12H,1H3
InChI Key:
HOQDQIVDTHUPQR-UHFFFAOYSA-N
SMILES:
Cc1c(nnn1c1ccccc1)c1ccc2c(c1)cccn2
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.122g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.338g/mol
Monoisotopic Mass:
286.122g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
43.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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