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84163-68-8 | 3-(Piperidin-4-yl)benzo[d]isoxazole
CAS No: 84163-68-8 Catalog No: AG004SGV MDL No:MFCD08166653
Product Description
Catalog Number:
AG004SGV
Chemical Name:
3-(Piperidin-4-yl)benzo[d]isoxazole
CAS Number:
84163-68-8
Molecular Formula:
C12H14N2O
Molecular Weight:
202.2524
MDL Number:
MFCD08166653
IUPAC Name:
3-piperidin-4-yl-1,2-benzoxazole
InChI:
InChI=1S/C12H14N2O/c1-2-4-11-10(3-1)12(14-15-11)9-5-7-13-8-6-9/h1-4,9,13H,5-8H2
InChI Key:
KEIQPPQTKPFHLZ-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1noc2c1cccc2
Properties
Complexity:
216
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.111g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
202.257g/mol
Monoisotopic Mass:
202.111g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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