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88362-76-9 | Oxazolo[4,5-h]quinoline-2-carboxylic acid, 5-chloro-, ethyl ester
CAS No: 88362-76-9 Catalog No: AG004GBL MDL No:
Product Description
Catalog Number:
AG004GBL
Chemical Name:
Oxazolo[4,5-h]quinoline-2-carboxylic acid, 5-chloro-, ethyl ester
CAS Number:
88362-76-9
Molecular Formula:
C13H9ClN2O3
Molecular Weight:
276.6752
IUPAC Name:
ethyl 5-chloro-[1,3]oxazolo[4,5-h]quinoline-2-carboxylate
InChI:
InChI=1S/C13H9ClN2O3/c1-2-18-13(17)12-16-9-6-8(14)7-4-3-5-15-10(7)11(9)19-12/h3-6H,2H2,1H3
InChI Key:
HEEGWATWPPIDTN-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1nc2c(o1)c1ncccc1c(c2)Cl
Properties
Complexity:
355
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
276.03g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
276.676g/mol
Monoisotopic Mass:
276.03g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
65.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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