| CAS Number | 72358-72-6 |
| Catalog Number | AG00FHOC(AGN-PC-0OH3UR) |
| Chemical Name | 4-Fluorophenyl methanesulfonate |
| IUPAC Name | (4-fluorophenyl) methanesulfonate |
| InChI | InChI=1S/C7H7FO3S/c1-12(9,10)11-7-4-2-6(8)3-5-7/h2-5H,1H3 |
| InChI Key | KERGNBBIBYFCRB-UHFFFAOYSA-N |
| MDL Number | MFCD16036342 |
| Molecular Formula | C7H7FO3S |
| Molecular Weight | 190.1921 |
| SMILES | CS(=O)(OC1=CC=C(F)C=C1)=O |
| Synonyms | 4-fluorophenyl methanesulfonate,
72358-72-6,
Methanesulfonic acid 4-fluorophenyl ester,
SCHEMBL3736307,
MFCD16036342,
Phenol,4-fluoro-,1-methanesulfonate,
ZINC28051528,
FCH1112149,
AK341885,
SC-61593,
1-fluoro-4-methylsulfonyloxy-benzene,
CID10012729,
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| Complexity | 224 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.188g/mol |
| Monoisotopic Mass | 190.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 51.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
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Certificate of Analysis
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