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415959-60-3 | [1-(2,6-Dichloro-benzyl)-piperidin-3-yl]-methanol
CAS No: 415959-60-3 Catalog No: AG01F9DJ MDL No:
Product Description
Catalog Number:
AG01F9DJ
Chemical Name:
[1-(2,6-Dichloro-benzyl)-piperidin-3-yl]-methanol
CAS Number:
415959-60-3
Molecular Formula:
C13H17Cl2NO
Molecular Weight:
274.1862
IUPAC Name:
[1-[(2,6-dichlorophenyl)methyl]piperidin-3-yl]methanol
InChI:
InChI=1S/C13H17Cl2NO/c14-12-4-1-5-13(15)11(12)8-16-6-2-3-10(7-16)9-17/h1,4-5,10,17H,2-3,6-9H2
InChI Key:
PSAWACGHKYGRPI-UHFFFAOYSA-N
SMILES:
OCC1CCCN(C1)Cc1c(Cl)cccc1Cl
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
273.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
274.185g/mol
Monoisotopic Mass:
273.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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