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847837-35-8 | 5-(ethanesulfonyl)-2-methyl-1,3-benzoxazole
CAS No: 847837-35-8 Catalog No: AG00IOXZ MDL No:MFCD07325229
Product Description
Catalog Number:
AG00IOXZ
Chemical Name:
5-(ethanesulfonyl)-2-methyl-1,3-benzoxazole
CAS Number:
847837-35-8
Molecular Formula:
C10H11NO3S
Molecular Weight:
225.2642
MDL Number:
MFCD07325229
IUPAC Name:
5-ethylsulfonyl-2-methyl-1,3-benzoxazole
InChI:
InChI=1S/C10H11NO3S/c1-3-15(12,13)8-4-5-10-9(6-8)11-7(2)14-10/h4-6H,3H2,1-2H3
InChI Key:
DJIFOKJAFXGMGY-UHFFFAOYSA-N
SMILES:
CCS(=O)(=O)c1ccc2c(c1)nc(o2)C
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.046g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.262g/mol
Monoisotopic Mass:
225.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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