Methyl 4-Fluoro-3-(methylsulfonyl)benzoate - CAS 160819-39-6
Catalog: |
BB011674 |
Product Name: |
Methyl 4-Fluoro-3-(methylsulfonyl)benzoate |
CAS: |
160819-39-6 |
Synonyms: |
4-fluoro-3-methylsulfonylbenzoic acid methyl ester; methyl 4-fluoro-3-methylsulfonylbenzoate |
IUPAC Name: | methyl 4-fluoro-3-methylsulfonylbenzoate |
Description: | Methyl 4-Fluoro-3-(methylsulfonyl)benzoate (CAS# 160819-39-6) is a useful research chemical. |
Molecular Weight: | 232.23 |
Molecular Formula: | C9H9FO4S |
Canonical SMILES: | COC(=O)C1=CC(=C(C=C1)F)S(=O)(=O)C |
InChI: | InChI=1S/C9H9FO4S/c1-14-9(11)6-3-4-7(10)8(5-6)15(2,12)13/h3-5H,1-2H3 |
InChI Key: | YUVSGFLZOSEKEA-UHFFFAOYSA-N |
LogP: | 0.45640 |
Publication Number | Title | Priority Date |
CA-2662449-A1 | Compounds and methods for 18f labeled agents | 20060908 |
CA-2858907-A1 | Compounds and methods for 18f labeled agents | 20060908 |
EP-1897885-A1 | Compounds and methods for F labelled agents | 20060908 |
EP-2063918-A2 | Compounds and methods for 18f labeled agents | 20060908 |
EP-2063918-B1 | Compounds and methods for 18f labeled agents | 20060908 |
Complexity: | 333 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 232.0205581 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 232.0205581 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.1 |
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