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1629-26-1 | Benzothiazole,2-(4-fluorophenyl)-
CAS No: 1629-26-1 Catalog No: AG001TJC MDL No:MFCD00579077
Product Description
Catalog Number:
AG001TJC
Chemical Name:
Benzothiazole,2-(4-fluorophenyl)-
CAS Number:
1629-26-1
Molecular Formula:
C13H8FNS
Molecular Weight:
229.2727
MDL Number:
MFCD00579077
IUPAC Name:
2-(4-fluorophenyl)-1,3-benzothiazole
InChI:
InChI=1S/C13H8FNS/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
InChI Key:
MWIDLEVLPMTJDU-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)c1nc2c(s1)cccc2
NSC Number:
51877
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.036g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.272g/mol
Monoisotopic Mass:
229.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
Literature
| Title | Journal |
|---|---|
| Synthesis of 18F-labelled 2-(4'-fluorophenyl)-1,3-benzothiazole and evaluation as amyloid imaging agent in comparison with [11C]PIB. | Bioorganic & medicinal chemistry letters 20090201 |
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