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89780-76-7 | 3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester
CAS No: 89780-76-7 Catalog No: AG003YNW MDL No:
Product Description
Catalog Number:
AG003YNW
Chemical Name:
3(2H)-Benzothiazolecarboxylic acid, 2-oxo-, ethyl ester
CAS Number:
89780-76-7
Molecular Formula:
C10H9NO3S
Molecular Weight:
223.2484
IUPAC Name:
ethyl 2-oxo-1,3-benzothiazole-3-carboxylate
InChI:
InChI=1S/C10H9NO3S/c1-2-14-9(12)11-7-5-3-4-6-8(7)15-10(11)13/h3-6H,2H2,1H3
InChI Key:
MZYIKOMBADGICC-UHFFFAOYSA-N
SMILES:
CCOC(=O)n1c(=O)sc2c1cccc2
Properties
Complexity:
282
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.03g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.246g/mol
Monoisotopic Mass:
223.03g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
71.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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