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416896-46-3 | [1-(2-Chloro-6-fluoro-benzyl)-piperidin-2-yl]-methanol
CAS No: 416896-46-3 Catalog No: AG01F83F MDL No:
Product Description
Catalog Number:
AG01F83F
Chemical Name:
[1-(2-Chloro-6-fluoro-benzyl)-piperidin-2-yl]-methanol
CAS Number:
416896-46-3
Molecular Formula:
C13H17ClFNO
Molecular Weight:
257.7316
IUPAC Name:
[1-[(2-chloro-6-fluorophenyl)methyl]piperidin-2-yl]methanol
InChI:
InChI=1S/C13H17ClFNO/c14-12-5-3-6-13(15)11(12)8-16-7-2-1-4-10(16)9-17/h3,5-6,10,17H,1-2,4,7-9H2
InChI Key:
YWHOQYBECZVTOL-UHFFFAOYSA-N
SMILES:
OCC1CCCCN1Cc1c(F)cccc1Cl
Properties
Complexity:
242
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
257.098g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.733g/mol
Monoisotopic Mass:
257.098g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
23.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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