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82075-97-6

82075-97-6 | 1H-Indole, 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-

CAS No: 82075-97-6 Catalog No: AG005C6A MDL No:

Product Description

Catalog Number:
AG005C6A
Chemical Name:
1H-Indole, 3-(3-phenyl-1,2,4-oxadiazol-5-yl)-
CAS Number:
82075-97-6
Molecular Formula:
C16H11N3O
Molecular Weight:
261.2780
IUPAC Name:
5-(1H-indol-3-yl)-3-phenyl-1,2,4-oxadiazole
InChI:
InChI=1S/C16H11N3O/c1-2-6-11(7-3-1)15-18-16(20-19-15)13-10-17-14-9-5-4-8-12(13)14/h1-10,17H
InChI Key:
SFCUHOTWPKCJGD-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1noc(n1)c1c[nH]c2c1cccc2

Properties

Complexity:
332  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.09g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
261.284g/mol
Monoisotopic Mass:
261.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
54.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  

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