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111831-79-9 | Oxazolo[4,5-b]pyridine, 2-(4-ethylphenyl)-
CAS No: 111831-79-9 Catalog No: AG0081QA MDL No:MFCD22193046
Product Description
Catalog Number:
AG0081QA
Chemical Name:
Oxazolo[4,5-b]pyridine, 2-(4-ethylphenyl)-
CAS Number:
111831-79-9
Molecular Formula:
C14H12N2O
Molecular Weight:
224.2579
MDL Number:
MFCD22193046
IUPAC Name:
2-(4-ethylphenyl)-[1,3]oxazolo[4,5-b]pyridine
InChI:
InChI=1S/C14H12N2O/c1-2-10-5-7-11(8-6-10)14-16-13-12(17-14)4-3-9-15-13/h3-9H,2H2,1H3
InChI Key:
IDYINYKJGBIBMH-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)c1nc2c(o1)cccn2
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.095g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.263g/mol
Monoisotopic Mass:
224.095g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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