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102252-25-5 | 1,2,4-Oxadiazole-5-acetonitrile, 3-benzoyl-
CAS No: 102252-25-5 Catalog No: AG00071M MDL No:
Product Description
Catalog Number:
AG00071M
Chemical Name:
1,2,4-Oxadiazole-5-acetonitrile, 3-benzoyl-
CAS Number:
102252-25-5
Molecular Formula:
C11H7N3O2
Molecular Weight:
213.1922
IUPAC Name:
2-(3-benzoyl-1,2,4-oxadiazol-5-yl)acetonitrile
InChI:
InChI=1S/C11H7N3O2/c12-7-6-9-13-11(14-16-9)10(15)8-4-2-1-3-5-8/h1-5H,6H2
InChI Key:
SDGSVRZJPOPTNN-UHFFFAOYSA-N
SMILES:
N#CCc1onc(n1)C(=O)c1ccccc1
Properties
Complexity:
304
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.054g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.196g/mol
Monoisotopic Mass:
213.054g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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