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1289388-06-2 | [1-(2,5-Dichloro-benzyl)-piperidin-2-yl]-methanol
CAS No: 1289388-06-2 Catalog No: AG01F98J MDL No:
Product Description
Catalog Number:
AG01F98J
Chemical Name:
[1-(2,5-Dichloro-benzyl)-piperidin-2-yl]-methanol
CAS Number:
1289388-06-2
Molecular Formula:
C13H17Cl2NO
Molecular Weight:
274.1862
IUPAC Name:
[1-[(2,5-dichlorophenyl)methyl]piperidin-2-yl]methanol
InChI:
InChI=1S/C13H17Cl2NO/c14-11-4-5-13(15)10(7-11)8-16-6-2-1-3-12(16)9-17/h4-5,7,12,17H,1-3,6,8-9H2
InChI Key:
NCPWAVVWGPABNV-UHFFFAOYSA-N
SMILES:
OCC1CCCCN1Cc1cc(Cl)ccc1Cl
Properties
Complexity:
240
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:
3.2
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