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Home > Indoles and Oxindole > 80565-57-7
80565-57-7 | 1H-Indole, 2-(5-methyl-3-phenyl-4-isoxazolyl)-
CAS No: 80565-57-7 Catalog No: AG0052G3 MDL No:
Product Description
Catalog Number:
AG0052G3
Chemical Name:
1H-Indole, 2-(5-methyl-3-phenyl-4-isoxazolyl)-
CAS Number:
80565-57-7
Molecular Formula:
C18H14N2O
Molecular Weight:
274.3166
IUPAC Name:
4-(1H-indol-2-yl)-5-methyl-3-phenyl-1,2-oxazole
InChI:
InChI=1S/C18H14N2O/c1-12-17(16-11-14-9-5-6-10-15(14)19-16)18(20-21-12)13-7-3-2-4-8-13/h2-11,19H,1H3
InChI Key:
FFABMLBQMXLELN-UHFFFAOYSA-N
SMILES:
Cc1onc(c1c1cc2c([nH]1)cccc2)c1ccccc1
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.111g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.323g/mol
Monoisotopic Mass:
274.111g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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