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Home > Indoles and Oxindole > 103457-64-3
103457-64-3 | 1H-Isoindole-1,3(2H)-dione, 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-
CAS No: 103457-64-3 Catalog No: AG007GIH MDL No:
Product Description
Catalog Number:
AG007GIH
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]-
CAS Number:
103457-64-3
Molecular Formula:
C13H11N3O3
Molecular Weight:
257.2447
IUPAC Name:
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]isoindole-1,3-dione
InChI:
InChI=1S/C13H11N3O3/c1-2-10-14-11(19-15-10)7-16-12(17)8-5-3-4-6-9(8)13(16)18/h3-6H,2,7H2,1H3
InChI Key:
BXWSVNWRCIAGHG-UHFFFAOYSA-N
SMILES:
CCc1noc(n1)CN1C(=O)c2c(C1=O)cccc2
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.08g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
257.249g/mol
Monoisotopic Mass:
257.08g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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