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883542-66-3 | 1-(2-Hydroxy-ethyl)-5-methyl-1H-benzoimidazole-2-carboxylic acid
CAS No: 883542-66-3 Catalog No: AG01FO88 MDL No:
Product Description
Catalog Number:
AG01FO88
Chemical Name:
1-(2-Hydroxy-ethyl)-5-methyl-1H-benzoimidazole-2-carboxylic acid
CAS Number:
883542-66-3
IUPAC Name:
1-(2-hydroxyethyl)-5-methylbenzimidazole-2-carboxylic acid
InChI:
InChI=1S/C11H12N2O3/c1-7-2-3-9-8(6-7)12-10(11(15)16)13(9)4-5-14/h2-3,6,14H,4-5H2,1H3,(H,15,16)
InChI Key:
XKPZZKQFIIQUJK-UHFFFAOYSA-N
Properties
Complexity:
272
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
220.228g/mol
Monoisotopic Mass:
220.085g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
75.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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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