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Home > Pyridines > 1239757-12-0
1239757-12-0 | (3-Pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile
CAS No: 1239757-12-0 Catalog No: AG00HHGG MDL No:MFCD16874901
Product Description
Catalog Number:
AG00HHGG
Chemical Name:
(3-Pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile
CAS Number:
1239757-12-0
Molecular Formula:
C9H6N4O
Molecular Weight:
186.1701
MDL Number:
MFCD16874901
IUPAC Name:
2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)acetonitrile
InChI:
InChI=1S/C9H6N4O/c10-5-4-8-12-9(13-14-8)7-3-1-2-6-11-7/h1-3,6H,4H2
InChI Key:
CNPBUCWFPVJOJE-UHFFFAOYSA-N
SMILES:
N#CCc1onc(n1)c1ccccn1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.054g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.174g/mol
Monoisotopic Mass:
186.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1
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