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293740-39-3 | 4H-1-Benzopyran-4-one, 3-(1H-benzimidazol-2-yl)-6-chloro-
CAS No: 293740-39-3 Catalog No: AG002Y6W MDL No:
Product Description
Catalog Number:
AG002Y6W
Chemical Name:
4H-1-Benzopyran-4-one, 3-(1H-benzimidazol-2-yl)-6-chloro-
CAS Number:
293740-39-3
Molecular Formula:
C16H9ClN2O2
Molecular Weight:
296.7079
IUPAC Name:
3-(1H-benzimidazol-2-yl)-6-chlorochromen-4-one
InChI:
InChI=1S/C16H9ClN2O2/c17-9-5-6-14-10(7-9)15(20)11(8-21-14)16-18-12-3-1-2-4-13(12)19-16/h1-8H,(H,18,19)
InChI Key:
RGRGDHLODJPCDR-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)c(=O)c(co2)c1nc2c([nH]1)cccc2
Properties
Complexity:
467
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.035g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.71g/mol
Monoisotopic Mass:
296.035g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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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