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84163-22-4 | 3-(Piperidin-4-yl)benzo[d]isoxazole hydrochloride
CAS No: 84163-22-4 Catalog No: AG0039T1 MDL No:MFCD27978162
Product Description
Catalog Number:
AG0039T1
Chemical Name:
3-(Piperidin-4-yl)benzo[d]isoxazole hydrochloride
CAS Number:
84163-22-4
Molecular Formula:
C12H15ClN2O
Molecular Weight:
238.7133
MDL Number:
MFCD27978162
IUPAC Name:
3-piperidin-4-yl-1,2-benzoxazole;hydrochloride
InChI:
InChI=1S/C12H14N2O.ClH/c1-2-4-11-10(3-1)12(14-15-11)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChI Key:
JVRIOVDBNNWSHA-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1noc2c1cccc2.Cl
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.715g/mol
Monoisotopic Mass:
238.087g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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