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310466-37-6 | Benzo[b]thiophene-2-carboxylic acid, 4-fluoro-
CAS No: 310466-37-6 Catalog No: AG0031ZO MDL No:MFCD03425782
Product Description
Catalog Number:
AG0031ZO
Chemical Name:
Benzo[b]thiophene-2-carboxylic acid, 4-fluoro-
CAS Number:
310466-37-6
Molecular Formula:
C9H5FO2S
Molecular Weight:
196.1982
MDL Number:
MFCD03425782
IUPAC Name:
4-fluoro-1-benzothiophene-2-carboxylic acid
InChI:
InChI=1S/C9H5FO2S/c10-6-2-1-3-7-5(6)4-8(13-7)9(11)12/h1-4H,(H,11,12)
InChI Key:
ZKADPMNICCXSRV-UHFFFAOYSA-N
SMILES:
OC(=O)c1sc2c(c1)c(F)ccc2
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
195.999g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
196.195g/mol
Monoisotopic Mass:
195.999g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
65.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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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