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1152-17-6 | Methanone, phenyl(3-phenyl-5-isoxazolyl)-
CAS No: 1152-17-6 Catalog No: AG000GF4 MDL No:
Product Description
Catalog Number:
AG000GF4
Chemical Name:
Methanone, phenyl(3-phenyl-5-isoxazolyl)-
CAS Number:
1152-17-6
Molecular Formula:
C16H11NO2
Molecular Weight:
249.2640
IUPAC Name:
phenyl-(3-phenyl-1,2-oxazol-5-yl)methanone
InChI:
InChI=1S/C16H11NO2/c18-16(13-9-5-2-6-10-13)15-11-14(17-19-15)12-7-3-1-4-8-12/h1-11H
InChI Key:
AUBKPDRFZYPUEF-UHFFFAOYSA-N
SMILES:
O=C(c1onc(c1)c1ccccc1)c1ccccc1
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.269g/mol
Monoisotopic Mass:
249.079g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
43.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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