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852-36-8 | 5-(biphenyl-4-yl)-2-phenyl-1,3-oxazole
CAS No: 852-36-8 Catalog No: AG004M39 MDL No:
Product Description
Catalog Number:
AG004M39
Chemical Name:
5-(biphenyl-4-yl)-2-phenyl-1,3-oxazole
CAS Number:
852-36-8
Molecular Formula:
C21H15NO
Molecular Weight:
297.3499
IUPAC Name:
2-phenyl-5-(4-phenylphenyl)-1,3-oxazole
InChI:
InChI=1S/C21H15NO/c1-3-7-16(8-4-1)17-11-13-18(14-12-17)20-15-22-21(23-20)19-9-5-2-6-10-19/h1-15H
InChI Key:
GCQCIPNRUROCBG-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1ccc(cc1)c1cnc(o1)c1ccccc1
EC Number:
212-709-4
Properties
Complexity:
351
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.115g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
297.357g/mol
Monoisotopic Mass:
297.115g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.3
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