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Home > Pyridines > 478248-72-5
478248-72-5 | 2-[1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carbonyl]pyridine
CAS No: 478248-72-5 Catalog No: AG00IW39 MDL No:MFCD02186271
Product Description
Catalog Number:
AG00IW39
Chemical Name:
2-[1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carbonyl]pyridine
CAS Number:
478248-72-5
Molecular Formula:
C15H12N4O2
Molecular Weight:
280.2814
MDL Number:
MFCD02186271
IUPAC Name:
[1-(4-methoxyphenyl)triazol-4-yl]-pyridin-2-ylmethanone
InChI:
InChI=1S/C15H12N4O2/c1-21-12-7-5-11(6-8-12)19-10-14(17-18-19)15(20)13-4-2-3-9-16-13/h2-10H,1H3
InChI Key:
GOIWVLYLLRXAKM-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)n1nnc(c1)C(=O)c1ccccn1
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.096g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.287g/mol
Monoisotopic Mass:
280.096g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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