Methyl 4-(Methylsulfonyl)benzoate - CAS 22821-70-1
Catalog: |
BB017758 |
Product Name: |
Methyl 4-(Methylsulfonyl)benzoate |
CAS: |
22821-70-1 |
Synonyms: |
4-methylsulfonylbenzoic acid methyl ester; methyl 4-methylsulfonylbenzoate |
IUPAC Name: | methyl 4-methylsulfonylbenzoate |
Description: | Methyl 4-(Methylsulfonyl)benzoate (CAS# 22821-70-1) is a useful research chemical. |
Molecular Weight: | 214.24 |
Molecular Formula: | C9H10O4S |
Canonical SMILES: | COC(=O)C1=CC=C(C=C1)S(=O)(=O)C |
InChI: | InChI=1S/C9H10O4S/c1-13-9(10)7-3-5-8(6-4-7)14(2,11)12/h3-6H,1-2H3 |
InChI Key: | GUGXKWUWYBKREL-UHFFFAOYSA-N |
Boiling Point: | 377.8 °C at 760 mmHg |
Density: | 1.266 g/cm3 |
LogP: | 1.95750 |
Publication Number | Title | Priority Date |
CN-112358425-A | Method for synthesizing aryl alkyl sulfone compound by oxidizing aryl alkyl thioether compound under promotion of visible light | 20201119 |
CN-109535106-A | A kind of preparation method of furans sulphur humulone | 20181228 |
BR-112020020940-A2 | antiproliferation compounds and their use | 20180424 |
WO-2019147783-A1 | Sulfonamide derivatives for protein degradation | 20180125 |
US-2019127337-A1 | Heterocyclic carboxylic acid amide ligand and applications thereof in copper catalyzed coupling reaction of aryl halogeno substitute | 20160415 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 214.02997997 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 214.02997997 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 68.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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