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24097-23-2 | Isoxazole,5-(4-methoxyphenyl)-3,4-diphenyl-
CAS No: 24097-23-2 Catalog No: AG006XDH MDL No:
Product Description
Catalog Number:
AG006XDH
Chemical Name:
Isoxazole,5-(4-methoxyphenyl)-3,4-diphenyl-
CAS Number:
24097-23-2
Molecular Formula:
C22H17NO2
Molecular Weight:
327.3759
IUPAC Name:
5-(4-methoxyphenyl)-3,4-diphenyl-1,2-oxazole
InChI:
InChI=1S/C22H17NO2/c1-24-19-14-12-18(13-15-19)22-20(16-8-4-2-5-9-16)21(23-25-22)17-10-6-3-7-11-17/h2-15H,1H3
InChI Key:
JBJFRBAUULVOQD-UHFFFAOYSA-N
SMILES:
COc1ccc(cc1)c1onc(c1c1ccccc1)c1ccccc1
NSC Number:
133086
Properties
Complexity:
395
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.126g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
327.383g/mol
Monoisotopic Mass:
327.126g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
35.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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