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114333-43-6 | Phenol, 2-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]-
CAS No: 114333-43-6 Catalog No: AG000B4F MDL No:
Product Description
Catalog Number:
AG000B4F
Chemical Name:
Phenol, 2-[5-(2-furanyl)-1,3,4-oxadiazol-2-yl]-
CAS Number:
114333-43-6
Molecular Formula:
C12H8N2O3
Molecular Weight:
228.2035
IUPAC Name:
2-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenol
InChI:
InChI=1S/C12H8N2O3/c15-9-5-2-1-4-8(9)11-13-14-12(17-11)10-6-3-7-16-10/h1-7,15H
InChI Key:
BQAHLVUMITYRON-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1nnc(o1)c1ccco1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.053g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
228.207g/mol
Monoisotopic Mass:
228.053g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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