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1289387-72-9 | [1-(2,5-Dichloro-benzyl)-piperidin-4-yl]-methanol
CAS No: 1289387-72-9 Catalog No: AG01F98I MDL No:
Product Description
Catalog Number:
AG01F98I
Chemical Name:
[1-(2,5-Dichloro-benzyl)-piperidin-4-yl]-methanol
CAS Number:
1289387-72-9
Molecular Formula:
C13H17Cl2NO
Molecular Weight:
274.1862
IUPAC Name:
[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methanol
InChI:
InChI=1S/C13H17Cl2NO/c14-12-1-2-13(15)11(7-12)8-16-5-3-10(9-17)4-6-16/h1-2,7,10,17H,3-6,8-9H2
InChI Key:
BTGGWRMGBXYLDR-UHFFFAOYSA-N
SMILES:
OCC1CCN(CC1)Cc1cc(Cl)ccc1Cl
Properties
Complexity:
232
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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