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864410-80-0 | [1-(2-Chloro-benzyl)-piperidin-2-yl]-methanol
CAS No: 864410-80-0 Catalog No: AG01FAIA MDL No:
Product Description
Catalog Number:
AG01FAIA
Chemical Name:
[1-(2-Chloro-benzyl)-piperidin-2-yl]-methanol
CAS Number:
864410-80-0
Molecular Formula:
C13H18ClNO
Molecular Weight:
239.7411
IUPAC Name:
[1-[(2-chlorophenyl)methyl]piperidin-2-yl]methanol
InChI:
InChI=1S/C13H18ClNO/c14-13-7-2-1-5-11(13)9-15-8-4-3-6-12(15)10-16/h1-2,5,7,12,16H,3-4,6,8-10H2
InChI Key:
HUSSNDHWKHHJRC-UHFFFAOYSA-N
SMILES:
OCC1CCCCN1Cc1ccccc1Cl
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.108g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.743g/mol
Monoisotopic Mass:
239.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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