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14677-21-5 | Isoxazole, 4,5-diphenyl-
CAS No: 14677-21-5 Catalog No: AG001EBH MDL No:
Product Description
Catalog Number:
AG001EBH
Chemical Name:
Isoxazole, 4,5-diphenyl-
CAS Number:
14677-21-5
Molecular Formula:
C15H11NO
Molecular Weight:
221.2539
IUPAC Name:
4,5-diphenyl-1,2-oxazole
InChI:
InChI=1S/C15H11NO/c1-3-7-12(8-4-1)14-11-16-17-15(14)13-9-5-2-6-10-13/h1-11H
InChI Key:
PHHYPNOXXPWYII-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1oncc1c1ccccc1
NSC Number:
156142
Properties
Complexity:
231
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.259g/mol
Monoisotopic Mass:
221.084g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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