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Home > Pyridines > 478047-32-4
478047-32-4 | 1-{4-[4-(pyridine-2-carbonyl)-1H-1,2,3-triazol-1-yl]phenyl}ethan-1-one
CAS No: 478047-32-4 Catalog No: AG00IY91 MDL No:MFCD02571953
Product Description
Catalog Number:
AG00IY91
Chemical Name:
1-{4-[4-(pyridine-2-carbonyl)-1H-1,2,3-triazol-1-yl]phenyl}ethan-1-one
CAS Number:
478047-32-4
Molecular Formula:
C16H12N4O2
Molecular Weight:
292.2921
MDL Number:
MFCD02571953
IUPAC Name:
1-[4-[4-(pyridine-2-carbonyl)triazol-1-yl]phenyl]ethanone
InChI:
InChI=1S/C16H12N4O2/c1-11(21)12-5-7-13(8-6-12)20-10-15(18-19-20)16(22)14-4-2-3-9-17-14/h2-10H,1H3
InChI Key:
GSZXXSAGRFRBMJ-UHFFFAOYSA-N
SMILES:
O=C(c1nnn(c1)c1ccc(cc1)C(=O)C)c1ccccn1
Properties
Complexity:
420
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.096g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
292.298g/mol
Monoisotopic Mass:
292.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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