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51785-15-0 | 2-PIPERIDIN-3-YL-1,3-BENZOXAZOLE
CAS No: 51785-15-0 Catalog No: AG00D8CY MDL No:MFCD06660810
Product Description
Catalog Number:
AG00D8CY
Chemical Name:
2-PIPERIDIN-3-YL-1,3-BENZOXAZOLE
CAS Number:
51785-15-0
Molecular Formula:
C12H15ClN2O
Molecular Weight:
238.7133
MDL Number:
MFCD06660810
IUPAC Name:
2-piperidin-3-yl-1,3-benzoxazole
InChI:
InChI=1S/C12H14N2O/c1-2-6-11-10(5-1)14-12(15-11)9-4-3-7-13-8-9/h1-2,5-6,9,13H,3-4,7-8H2
InChI Key:
MNJITFGKRQIUJN-UHFFFAOYSA-N
SMILES:
C1CCC(CN1)c1nc2c(o1)cccc2.Cl
Properties
Complexity:
222
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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