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1406049-50-0 | 1H-1,2,4-Triazole-5-carboxylic acid, 3-(5-quinolinyl)-, ethyl ester
CAS No: 1406049-50-0 Catalog No: AG001CK1 MDL No:
Product Description
Catalog Number:
AG001CK1
Chemical Name:
1H-1,2,4-Triazole-5-carboxylic acid, 3-(5-quinolinyl)-, ethyl ester
CAS Number:
1406049-50-0
Molecular Formula:
C14H12N4O2
Molecular Weight:
268.2707
IUPAC Name:
ethyl 3-quinolin-5-yl-1H-1,2,4-triazole-5-carboxylate
InChI:
InChI=1S/C14H12N4O2/c1-2-20-14(19)13-16-12(17-18-13)10-5-3-7-11-9(10)6-4-8-15-11/h3-8H,2H2,1H3,(H,16,17,18)
InChI Key:
HZHHBMXNCFTFNU-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1[nH]nc(n1)c1cccc2c1cccn2
Properties
Complexity:
352
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.096g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.276g/mol
Monoisotopic Mass:
268.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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