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Home > Pyridines > 1306603-46-2
1306603-46-2 | [3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methanol hydrochloride
CAS No: 1306603-46-2 Catalog No: AG01AI79 MDL No:MFCD18838906
Product Description
Catalog Number:
AG01AI79
Chemical Name:
[3-(pyridin-4-yl)-1,2,4-oxadiazol-5-yl]methanol hydrochloride
CAS Number:
1306603-46-2
Molecular Formula:
C8H8ClN3O2
Molecular Weight:
213.6210
MDL Number:
MFCD18838906
IUPAC Name:
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methanol;hydrochloride
InChI:
InChI=1S/C8H7N3O2.ClH/c12-5-7-10-8(11-13-7)6-1-3-9-4-2-6;/h1-4,12H,5H2;1H
InChI Key:
VOFCMAMFPLPWIL-UHFFFAOYSA-N
SMILES:
OCc1onc(n1)c1ccncc1.Cl
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
213.621g/mol
Monoisotopic Mass:
213.031g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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