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20768-30-3 | Acetic acid, 2-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenoxy]-, 1,1-dimethylethyl ester
CAS No: 20768-30-3 Catalog No: AG002J7J MDL No:
Product Description
Catalog Number:
AG002J7J
Chemical Name:
Acetic acid, 2-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenoxy]-, 1,1-dimethylethyl ester
CAS Number:
20768-30-3
Molecular Formula:
C20H21Cl2NO5
Molecular Weight:
426.2904
IUPAC Name:
tert-butyl 2-[4-[[2-(3,4-dichlorophenoxy)acetyl]amino]phenoxy]acetate
InChI:
InChI=1S/C20H21Cl2NO5/c1-20(2,3)28-19(25)12-27-14-6-4-13(5-7-14)23-18(24)11-26-15-8-9-16(21)17(22)10-15/h4-10H,11-12H2,1-3H3,(H,23,24)
InChI Key:
BPACRJXSMRJTBX-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(cc1)OCC(=O)OC(C)(C)C)COc1ccc(c(c1)Cl)Cl
NSC Number:
211345
Properties
Complexity:
517
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.08g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
426.29g/mol
Monoisotopic Mass:
425.08g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
73.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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