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1261233-18-4 | 2-(3-Chloro-benzyloxymethyl)-piperidine hydrochloride
CAS No: 1261233-18-4 Catalog No: AG01F87K MDL No:
Product Description
Catalog Number:
AG01F87K
Chemical Name:
2-(3-Chloro-benzyloxymethyl)-piperidine hydrochloride
CAS Number:
1261233-18-4
Molecular Formula:
C13H19Cl2NO
Molecular Weight:
276.2021
IUPAC Name:
2-[(3-chlorophenyl)methoxymethyl]piperidine;hydrochloride
InChI:
InChI=1S/C13H18ClNO.ClH/c14-12-5-3-4-11(8-12)9-16-10-13-6-1-2-7-15-13;/h3-5,8,13,15H,1-2,6-7,9-10H2;1H
InChI Key:
ZMXOXJIPOGMXIL-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)COCC1CCCCN1.Cl
Properties
Complexity:
200
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
275.084g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
276.201g/mol
Monoisotopic Mass:
275.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
21.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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