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87967-23-5 | Acetic acid, [(4-chlorophenyl)amino]oxo-, 2-ethoxy-2-oxoethyl ester
CAS No: 87967-23-5 Catalog No: AG004D3V MDL No:
Product Description
Catalog Number:
AG004D3V
Chemical Name:
Acetic acid, [(4-chlorophenyl)amino]oxo-, 2-ethoxy-2-oxoethyl ester
CAS Number:
87967-23-5
Molecular Formula:
C12H12ClNO5
Molecular Weight:
285.6804
IUPAC Name:
(2-ethoxy-2-oxoethyl) 2-(4-chloroanilino)-2-oxoacetate
InChI:
InChI=1S/C12H12ClNO5/c1-2-18-10(15)7-19-12(17)11(16)14-9-5-3-8(13)4-6-9/h3-6H,2,7H2,1H3,(H,14,16)
InChI Key:
HWCQAZILTIHDOE-UHFFFAOYSA-N
SMILES:
CCOC(=O)COC(=O)C(=O)Nc1ccc(cc1)Cl
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
285.04g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
285.68g/mol
Monoisotopic Mass:
285.04g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
81.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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