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139272-68-7 | Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, 2-(1,1-dimethylethoxy)-2-oxoethyl ester
CAS No: 139272-68-7 Catalog No: AG001AMW MDL No:
Product Description
Catalog Number:
AG001AMW
Chemical Name:
Benzeneacetic acid, 2-[(2,6-dichlorophenyl)amino]-, 2-(1,1-dimethylethoxy)-2-oxoethyl ester
CAS Number:
139272-68-7
Molecular Formula:
C20H21Cl2NO4
Molecular Weight:
410.2910
IUPAC Name:
[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl] 2-[2-(2,6-dichloroanilino)phenyl]acetate
InChI:
InChI=1S/C20H21Cl2NO4/c1-20(2,3)27-18(25)12-26-17(24)11-13-7-4-5-10-16(13)23-19-14(21)8-6-9-15(19)22/h4-10,23H,11-12H2,1-3H3
InChI Key:
QIQFYYWKRUYDTH-UHFFFAOYSA-N
SMILES:
O=C(Cc1ccccc1Nc1c(Cl)cccc1Cl)OCC(=O)OC(C)(C)C
Properties
Complexity:
499
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:
1
Isotope Atom Count:
0
Molecular Weight:
410.291g/mol
Monoisotopic Mass:
409.085g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
64.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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