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Home > Indoles and Oxindole > 790263-35-3
790263-35-3 | 2-{3-[2-(1H-indol-1-yl)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile
CAS No: 790263-35-3 Catalog No: AG019JHD MDL No:MFCD06357344
Product Description
Catalog Number:
AG019JHD
Chemical Name:
2-{3-[2-(1H-indol-1-yl)ethyl]-1,2,4-oxadiazol-5-yl}acetonitrile
CAS Number:
790263-35-3
Molecular Formula:
C14H12N4O
Molecular Weight:
252.2713
MDL Number:
MFCD06357344
IUPAC Name:
2-[3-(2-indol-1-ylethyl)-1,2,4-oxadiazol-5-yl]acetonitrile
InChI:
InChI=1S/C14H12N4O/c15-8-5-14-16-13(17-19-14)7-10-18-9-6-11-3-1-2-4-12(11)18/h1-4,6,9H,5,7,10H2
InChI Key:
GEEZOSKDOOZZIG-UHFFFAOYSA-N
SMILES:
N#CCc1onc(n1)CCn1ccc2c1cccc2
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.101g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.277g/mol
Monoisotopic Mass:
252.101g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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