Home Halogens Acetic acid,2,2-bis(4-chlorophenoxy)-, 1-methyl-4-piperidinyl ester

Acetic acid,2,2-bis(4-chlorophenoxy)-, 1-methyl-4-piperidinyl ester

CAS No.:
22204-91-7
Catalog Number:
AG006ZFW
Molecular Formula:
C20H21Cl2NO4
Molecular Weight:
410.2910
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Product Description
Catalog Number:
AG006ZFW
Chemical Name:
Acetic acid,2,2-bis(4-chlorophenoxy)-, 1-methyl-4-piperidinyl ester
CAS Number:
22204-91-7
Molecular Formula:
C20H21Cl2NO4
Molecular Weight:
410.2910
MDL Number:
MFCD00006499
IUPAC Name:
(1-methylpiperidin-4-yl) 2,2-bis(4-chlorophenoxy)acetate
InChI:
InChI=1S/C20H21Cl2NO4/c1-23-12-10-18(11-13-23)25-19(24)20(26-16-6-2-14(21)3-7-16)27-17-8-4-15(22)5-9-17/h2-9,18,20H,10-13H2,1H3
InChI Key:
QDGIAPPCJRFVEK-UHFFFAOYSA-N
SMILES:
CN1CCC(CC1)OC(=O)C(Oc1ccc(cc1)Cl)Oc1ccc(cc1)Cl
EC Number:
244-839-2
UNII:
Y4X961F8Z1
Properties
Complexity:
433  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
409.085g/mol
Formal Charge:
0
Heavy Atom Count:
27  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
410.291g/mol
Monoisotopic Mass:
409.085g/mol
Rotatable Bond Count:
7  
Topological Polar Surface Area:
48A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5  
Literature
Title Journal
Why are most phospholipidosis inducers also hERG blockers? Archives of toxicology 20171201
Properties