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88350-03-2 | Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, 1-methylpropyl ester
CAS No: 88350-03-2 Catalog No: AG0045EM MDL No:
Product Description
Catalog Number:
AG0045EM
Chemical Name:
Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, 1-methylpropyl ester
CAS Number:
88350-03-2
Molecular Formula:
C15H16ClNO3
Molecular Weight:
293.7454
IUPAC Name:
butan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
InChI:
InChI=1S/C15H16ClNO3/c1-3-10(2)20-14(18)9-19-13-7-6-12(16)11-5-4-8-17-15(11)13/h4-8,10H,3,9H2,1-2H3
InChI Key:
SVVWDHDGDKFYDS-UHFFFAOYSA-N
SMILES:
CCC(OC(=O)COc1ccc(c2c1nccc2)Cl)C
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.082g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.747g/mol
Monoisotopic Mass:
293.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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