Home Other Building Blocks 3-(1,3-thiazol-4-ylmethoxy)benzoic acid

3-(1,3-thiazol-4-ylmethoxy)benzoic acid

CAS No.:
874623-35-5
Catalog Number:
AG019PFQ
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
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Product Description
Catalog Number:
AG019PFQ
Chemical Name:
3-(1,3-thiazol-4-ylmethoxy)benzoic acid
CAS Number:
874623-35-5
Molecular Formula:
C11H9NO3S
Molecular Weight:
235.2591
MDL Number:
MFCD07692304
IUPAC Name:
3-(1,3-thiazol-4-ylmethoxy)benzoic acid
InChI:
InChI=1S/C11H9NO3S/c13-11(14)8-2-1-3-10(4-8)15-5-9-6-16-7-12-9/h1-4,6-7H,5H2,(H,13,14)
InChI Key:
IMILYUBILRHRBV-UHFFFAOYSA-N
SMILES:
OC(=O)c1cccc(c1)OCc1cscn1
Properties
Complexity:
249  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.03g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
235.257g/mol
Monoisotopic Mass:
235.03g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
87.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties