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2060040-96-0 | 3-[5-(3-methylazetidin-3-yl)-1,3,4-oxadiazol-2-yl]pyridine dihydrochloride
CAS No: 2060040-96-0 Catalog No: AG01C0CX MDL No:MFCD30497935
Product Description
Catalog Number:
AG01C0CX
Chemical Name:
3-[5-(3-methylazetidin-3-yl)-1,3,4-oxadiazol-2-yl]pyridine dihydrochloride
CAS Number:
2060040-96-0
Molecular Formula:
C11H14Cl2N4O
Molecular Weight:
289.1611
MDL Number:
MFCD30497935
IUPAC Name:
2-(3-methylazetidin-3-yl)-5-pyridin-3-yl-1,3,4-oxadiazole;dihydrochloride
InChI:
InChI=1S/C11H12N4O.2ClH/c1-11(6-13-7-11)10-15-14-9(16-10)8-3-2-4-12-5-8;;/h2-5,13H,6-7H2,1H3;2*1H
InChI Key:
WFAWLFZIVYAGJW-UHFFFAOYSA-N
SMILES:
CC1(CNC1)c1nnc(o1)c1cccnc1.Cl.Cl
Properties
Complexity:
256
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.054g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
289.16g/mol
Monoisotopic Mass:
288.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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