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83959-64-2 | Oxazole, 5-[1,1'-biphenyl]-4-yl-2-(4-chlorophenyl)-
CAS No: 83959-64-2 Catalog No: AG004R59 MDL No:
Product Description
Catalog Number:
AG004R59
Chemical Name:
Oxazole, 5-[1,1'-biphenyl]-4-yl-2-(4-chlorophenyl)-
CAS Number:
83959-64-2
Molecular Formula:
C21H14ClNO
Molecular Weight:
331.7950
IUPAC Name:
2-(4-chlorophenyl)-5-(4-phenylphenyl)-1,3-oxazole
InChI:
InChI=1S/C21H14ClNO/c22-19-12-10-18(11-13-19)21-23-14-20(24-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14H
InChI Key:
DTJZKQQSERZGRU-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1ncc(o1)c1ccc(cc1)c1ccccc1
Properties
Complexity:
381
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.076g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.799g/mol
Monoisotopic Mass:
331.076g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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