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1408058-13-8 | Benzoxazole, 2-(4-piperidinyl)-, hydrochloride (1:1)
CAS No: 1408058-13-8 Catalog No: AG001CSC MDL No:MFCD22574986
Product Description
Catalog Number:
AG001CSC
Chemical Name:
Benzoxazole, 2-(4-piperidinyl)-, hydrochloride (1:1)
CAS Number:
1408058-13-8
Molecular Formula:
C12H15ClN2O
Molecular Weight:
238.7133
MDL Number:
MFCD22574986
IUPAC Name:
2-piperidin-4-yl-1,3-benzoxazole;hydrochloride
InChI:
InChI=1S/C12H14N2O.ClH/c1-2-4-11-10(3-1)14-12(15-11)9-5-7-13-8-6-9;/h1-4,9,13H,5-8H2;1H
InChI Key:
SNYHDSIOBPNMML-UHFFFAOYSA-N
SMILES:
N1CCC(CC1)c1nc2c(o1)cccc2.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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