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26321-26-6 | 1-Pyrrolidineethanol, α-[[2-(4-chlorophenoxy)phenoxy]methyl]-, hydrochloride (1:1)
CAS No: 26321-26-6 Catalog No: AG002SPY MDL No:
Product Description
Catalog Number:
AG002SPY
Chemical Name:
1-Pyrrolidineethanol, α-[[2-(4-chlorophenoxy)phenoxy]methyl]-, hydrochloride (1:1)
CAS Number:
26321-26-6
Molecular Formula:
C19H23Cl2NO3
Molecular Weight:
384.2968
IUPAC Name:
1-[2-(4-chlorophenoxy)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
InChI:
InChI=1S/C19H22ClNO3.ClH/c20-15-7-9-17(10-8-15)24-19-6-2-1-5-18(19)23-14-16(22)13-21-11-3-4-12-21;/h1-2,5-10,16,22H,3-4,11-14H2;1H
InChI Key:
WEZJDCDNSGNMFW-UHFFFAOYSA-N
SMILES:
OC(CN1CCCC1)COc1ccccc1Oc1ccc(cc1)Cl.Cl
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
383.105g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
384.297g/mol
Monoisotopic Mass:
383.105g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
41.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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