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1874-42-6 | 2-(2-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CAS No: 1874-42-6 Catalog No: AG003ES9 MDL No:
Product Description
Catalog Number:
AG003ES9
Chemical Name:
2-(2-Methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
CAS Number:
1874-42-6
Molecular Formula:
C15H12N2O2
Molecular Weight:
252.2680
IUPAC Name:
2-(2-methoxyphenyl)-5-phenyl-1,3,4-oxadiazole
InChI:
InChI=1S/C15H12N2O2/c1-18-13-10-6-5-9-12(13)15-17-16-14(19-15)11-7-3-2-4-8-11/h2-10H,1H3
InChI Key:
LVANXZXLJHUWEA-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1nnc(o1)c1ccccc1
EC Number:
217-501-7
Properties
Complexity:
281
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.09g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.273g/mol
Monoisotopic Mass:
252.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
48.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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