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294620-60-3 | Benzoic acid, 4-(2-methyl-4-thiazolyl)-
CAS No: 294620-60-3 Catalog No: AG002YFJ MDL No:MFCD02225088
Product Description
Catalog Number:
AG002YFJ
Chemical Name:
Benzoic acid, 4-(2-methyl-4-thiazolyl)-
CAS Number:
294620-60-3
Molecular Formula:
C11H9NO2S
Molecular Weight:
219.2597
MDL Number:
MFCD02225088
IUPAC Name:
4-(2-methyl-1,3-thiazol-4-yl)benzoic acid
InChI:
InChI=1S/C11H9NO2S/c1-7-12-10(6-15-7)8-2-4-9(5-3-8)11(13)14/h2-6H,1H3,(H,13,14)
InChI Key:
NYJHTTLXERQUIV-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)c1csc(n1)C
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
219.035g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
219.258g/mol
Monoisotopic Mass:
219.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^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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