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83959-69-7 | Phenol, 4-(5-[1,1'-biphenyl]-4-yl-2-oxazolyl)-
CAS No: 83959-69-7 Catalog No: AG004UNI MDL No:
Product Description
Catalog Number:
AG004UNI
Chemical Name:
Phenol, 4-(5-[1,1'-biphenyl]-4-yl-2-oxazolyl)-
CAS Number:
83959-69-7
Molecular Formula:
C21H15NO2
Molecular Weight:
313.3493
IUPAC Name:
4-[5-(4-phenylphenyl)-1,3-oxazol-2-yl]phenol
InChI:
InChI=1S/C21H15NO2/c23-19-12-10-18(11-13-19)21-22-14-20(24-21)17-8-6-16(7-9-17)15-4-2-1-3-5-15/h1-14,23H
InChI Key:
JYFITTCTXWSSJC-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1ncc(o1)c1ccc(cc1)c1ccccc1
Properties
Complexity:
379
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
313.11g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
313.356g/mol
Monoisotopic Mass:
313.11g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.9
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