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452345-64-1 | [4-(2-Methyl-thiazol-4-yl)-phenoxy]-acetic acid
CAS No: 452345-64-1 Catalog No: AG01FO7Z MDL No:
Product Description
Catalog Number:
AG01FO7Z
Chemical Name:
[4-(2-Methyl-thiazol-4-yl)-phenoxy]-acetic acid
CAS Number:
452345-64-1
IUPAC Name:
2-[4-(2-methyl-1,3-thiazol-4-yl)phenoxy]acetic acid
InChI:
InChI=1S/C12H11NO3S/c1-8-13-11(7-17-8)9-2-4-10(5-3-9)16-6-12(14)15/h2-5,7H,6H2,1H3,(H,14,15)
InChI Key:
WSMWPHJTLBRXHI-UHFFFAOYSA-N
Properties
Complexity:
267
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.046g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.284g/mol
Monoisotopic Mass:
249.046g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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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