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88350-21-4 | Acetic acid, [(5-chloro-7-iodo-8-quinolinyl)oxy]-, propyl ester
CAS No: 88350-21-4 Catalog No: AG0045T8 MDL No:
Product Description
Catalog Number:
AG0045T8
Chemical Name:
Acetic acid, [(5-chloro-7-iodo-8-quinolinyl)oxy]-, propyl ester
CAS Number:
88350-21-4
Molecular Formula:
C14H13ClINO3
Molecular Weight:
405.6154
IUPAC Name:
propyl 2-(5-chloro-7-iodoquinolin-8-yl)oxyacetate
InChI:
InChI=1S/C14H13ClINO3/c1-2-6-19-12(18)8-20-14-11(16)7-10(15)9-4-3-5-17-13(9)14/h3-5,7H,2,6,8H2,1H3
InChI Key:
KMIWCHCPYPVIAV-UHFFFAOYSA-N
SMILES:
CCCOC(=O)COc1c(I)cc(c2c1nccc2)Cl
Properties
Complexity:
332
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.963g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
405.616g/mol
Monoisotopic Mass:
404.963g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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