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Home > Quinoline > 1354953-00-6
1354953-00-6 | 5-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoline
CAS No: 1354953-00-6 Catalog No: AG01AKWE MDL No:MFCD20233612
Product Description
Catalog Number:
AG01AKWE
Chemical Name:
5-(5-phenyl-1H-1,2,4-triazol-3-yl)quinoline
CAS Number:
1354953-00-6
Molecular Formula:
C17H12N4
Molecular Weight:
272.3040
MDL Number:
MFCD20233612
IUPAC Name:
5-(3-phenyl-1H-1,2,4-triazol-5-yl)quinoline
InChI:
InChI=1S/C17H12N4/c1-2-6-12(7-3-1)16-19-17(21-20-16)14-8-4-10-15-13(14)9-5-11-18-15/h1-11H,(H,19,20,21)
InChI Key:
OVPCKHLKIAYPBL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1[nH]nc(n1)c1cccc2c1cccn2
Properties
Complexity:
342
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.311g/mol
Monoisotopic Mass:
272.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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