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34576-92-6 | 3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid
CAS No: 34576-92-6 Catalog No: AG003J9Y MDL No:MFCD00228531
Product Description
Catalog Number:
AG003J9Y
Chemical Name:
3-Chloro-6-fluorobenzo[b]thiophene-2-carboxylic acid
CAS Number:
34576-92-6
Molecular Formula:
C9H4ClFO2S
Molecular Weight:
230.6433
MDL Number:
MFCD00228531
IUPAC Name:
3-chloro-6-fluoro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H4ClFO2S/c10-7-5-2-1-4(11)3-6(5)14-8(7)9(12)13/h1-3H,(H,12,13)
InChI Key:
HSRSWUJIPYUCSE-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)sc(c2Cl)C(=O)O
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.96g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
230.637g/mol
Monoisotopic Mass:
229.96g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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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