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1261235-70-4 | [1-(3,4-Dichloro-benzyl)-piperidin-2-yl]-methanol
CAS No: 1261235-70-4 Catalog No: AG01F97X MDL No:
Product Description
Catalog Number:
AG01F97X
Chemical Name:
[1-(3,4-Dichloro-benzyl)-piperidin-2-yl]-methanol
CAS Number:
1261235-70-4
Molecular Formula:
C13H17Cl2NO
Molecular Weight:
274.1862
IUPAC Name:
[1-[(3,4-dichlorophenyl)methyl]piperidin-2-yl]methanol
InChI:
InChI=1S/C13H17Cl2NO/c14-12-5-4-10(7-13(12)15)8-16-6-2-1-3-11(16)9-17/h4-5,7,11,17H,1-3,6,8-9H2
InChI Key:
BQAILLXPFQMCTH-UHFFFAOYSA-N
SMILES:
OCC1CCCCN1Cc1ccc(c(c1)Cl)Cl
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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