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88349-98-8 | Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, 1-methylethyl ester
CAS No: 88349-98-8 Catalog No: AG0045Z2 MDL No:
Product Description
Catalog Number:
AG0045Z2
Chemical Name:
Acetic acid, [(5-chloro-8-quinolinyl)oxy]-, 1-methylethyl ester
CAS Number:
88349-98-8
Molecular Formula:
C14H14ClNO3
Molecular Weight:
279.7189
IUPAC Name:
propan-2-yl 2-(5-chloroquinolin-8-yl)oxyacetate
InChI:
InChI=1S/C14H14ClNO3/c1-9(2)19-13(17)8-18-12-6-5-11(15)10-4-3-7-16-14(10)12/h3-7,9H,8H2,1-2H3
InChI Key:
IEBWGBFBTXVGIF-UHFFFAOYSA-N
SMILES:
CC(OC(=O)COc1ccc(c2c1nccc2)Cl)C
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.066g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.72g/mol
Monoisotopic Mass:
279.066g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
48.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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