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368-88-7 | 4-Fluorobenzenesulfonic acid
CAS No: 368-88-7 Catalog No: AG003LEZ MDL No:MFCD06658253
Product Description
Catalog Number:
AG003LEZ
Chemical Name:
4-Fluorobenzenesulfonic acid
CAS Number:
368-88-7
Molecular Formula:
C6H5FO3S
Molecular Weight:
176.1655
MDL Number:
MFCD06658253
IUPAC Name:
4-fluorobenzenesulfonic acid
InChI:
InChI=1S/C6H5FO3S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H,8,9,10)
InChI Key:
WVSYONICNIDYBE-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)S(=O)(=O)O
EC Number:
206-714-0
NSC Number:
43021
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.994g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
176.161g/mol
Monoisotopic Mass:
175.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
62.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
Literature
| Title | Journal |
|---|---|
| 4-Methyl-2-oxo-2H-chromen-7-yl 4-fluoro-benzene-sulfonate. | Acta crystallographica. Section E, Structure reports online 20120301 |
| Bis{4-[(E)-2-(1H-indol-3-yl)ethen-yl]-1-methyl-pyridinium} 4-fluoro-benzene-sulfonate nitrate 0.25-hydrate. | Acta crystallographica. Section E, Structure reports online 20090201 |
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