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81315-68-6 | Oxazole, 2,5-dihydro-2,2,4,5-tetraphenyl-
CAS No: 81315-68-6 Catalog No: AG005349 MDL No:
Product Description
Catalog Number:
AG005349
Chemical Name:
Oxazole, 2,5-dihydro-2,2,4,5-tetraphenyl-
CAS Number:
81315-68-6
Molecular Formula:
C27H21NO
Molecular Weight:
375.4617
IUPAC Name:
2,2,4,5-tetraphenyl-5H-1,3-oxazole
InChI:
InChI=1S/C27H21NO/c1-5-13-21(14-6-1)25-26(22-15-7-2-8-16-22)29-27(28-25,23-17-9-3-10-18-23)24-19-11-4-12-20-24/h1-20,26H
InChI Key:
VTVPWMQNFGFQOR-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)C1=NC(OC1c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
527
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.162g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
375.471g/mol
Monoisotopic Mass:
375.162g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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