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455-26-5 | 4-(Fluorosulfonyl)benzoic acid
CAS No: 455-26-5 Catalog No: AG003K8B MDL No:MFCD00007420
Product Description
Catalog Number:
AG003K8B
Chemical Name:
4-(Fluorosulfonyl)benzoic acid
CAS Number:
455-26-5
Molecular Formula:
C7H5FO4S
Molecular Weight:
204.1756
MDL Number:
MFCD00007420
IUPAC Name:
4-fluorosulfonylbenzoic acid
InChI:
InChI=1S/C7H5FO4S/c8-13(11,12)6-3-1-5(2-4-6)7(9)10/h1-4H,(H,9,10)
InChI Key:
DJUJJHDCOUPERR-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(cc1)S(=O)(=O)F
EC Number:
207-243-3
Properties
Complexity:
284
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.989g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.171g/mol
Monoisotopic Mass:
203.989g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
Literature
| Title | Journal |
|---|---|
| Chemical trapping of vancomycin: a potential strategy for preventing selection of vancomycin-resistant Enterococci. | Microbial drug resistance (Larchmont, N.Y.) 20120401 |
| Anti-sulfonylbenzoate antibodies as a tool for the detection of nucleotide-binding proteins for functional proteomics. | Journal of proteome research 20040101 |
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