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23133-34-8 | Phenol, 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-
CAS No: 23133-34-8 Catalog No: AG002MAJ MDL No:
Product Description
Catalog Number:
AG002MAJ
Chemical Name:
Phenol, 4-(5-phenyl-1,3,4-oxadiazol-2-yl)-
CAS Number:
23133-34-8
Molecular Formula:
C14H10N2O2
Molecular Weight:
238.2414
IUPAC Name:
4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenol
InChI:
InChI=1S/C14H10N2O2/c17-12-8-6-11(7-9-12)14-16-15-13(18-14)10-4-2-1-3-5-10/h1-9,17H
InChI Key:
NEIGDUNVPSHESZ-UHFFFAOYSA-N
SMILES:
Oc1ccc(cc1)c1nnc(o1)c1ccccc1
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.074g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
238.246g/mol
Monoisotopic Mass:
238.074g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
59.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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