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2182-78-7 | 4-(Benzothiazol-2-yl)benzoic acid
CAS No: 2182-78-7 Catalog No: AG00C23U MDL No:
Product Description
Catalog Number:
AG00C23U
Chemical Name:
4-(Benzothiazol-2-yl)benzoic acid
CAS Number:
2182-78-7
IUPAC Name:
4-(1,3-benzothiazol-2-yl)benzoic acid
InChI:
InChI=1S/C14H9NO2S/c16-14(17)10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)18-13/h1-8H,(H,16,17)
InChI Key:
PZLVNQBPCDMJFR-UHFFFAOYSA-N
Properties
Complexity:
315
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.035g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.291g/mol
Monoisotopic Mass:
255.035g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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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