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89060-94-6 | 4,4'-Biisoxazole, 3,3'-dimethyl-5,5'-diphenyl-
CAS No: 89060-94-6 Catalog No: AG004117 MDL No:
Product Description
Catalog Number:
AG004117
Chemical Name:
4,4'-Biisoxazole, 3,3'-dimethyl-5,5'-diphenyl-
CAS Number:
89060-94-6
Molecular Formula:
C20H16N2O2
Molecular Weight:
316.3532
IUPAC Name:
3-methyl-4-(3-methyl-5-phenyl-1,2-oxazol-4-yl)-5-phenyl-1,2-oxazole
InChI:
InChI=1S/C20H16N2O2/c1-13-17(19(23-21-13)15-9-5-3-6-10-15)18-14(2)22-24-20(18)16-11-7-4-8-12-16/h3-12H,1-2H3
InChI Key:
UKAJHJSLZSCGAV-UHFFFAOYSA-N
SMILES:
Cc1noc(c1c1c(C)noc1c1ccccc1)c1ccccc1
Properties
Complexity:
368
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
316.121g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
316.36g/mol
Monoisotopic Mass:
316.121g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
52.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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