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24664-13-9 | 1,2,4-Oxadiazole, 3-[(1E)-2-[4-(methylsulfinyl)phenyl]ethenyl]-
CAS No: 24664-13-9 Catalog No: AG002OZ1 MDL No:
Product Description
Catalog Number:
AG002OZ1
Chemical Name:
1,2,4-Oxadiazole, 3-[(1E)-2-[4-(methylsulfinyl)phenyl]ethenyl]-
CAS Number:
24664-13-9
Molecular Formula:
C11H10N2O2S
Molecular Weight:
234.2743
IUPAC Name:
3-[2-(4-methylsulfinylphenyl)ethenyl]-1,2,4-oxadiazole
InChI:
InChI=1S/C11H10N2O2S/c1-16(14)10-5-2-9(3-6-10)4-7-11-12-8-15-13-11/h2-8H,1H3
InChI Key:
RHBQOSWVEPFPPC-UHFFFAOYSA-N
SMILES:
CS(=O)c1ccc(cc1)/C=C/c1nocn1
Properties
Complexity:
275
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.046g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.273g/mol
Monoisotopic Mass:
234.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
1
XLogP3:
1.6
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