3-(Methylsulfonyl)phenylboronic Acid Pinacol Ester - CAS 1001185-88-1
Catalog: |
BB000091 |
Product Name: |
3-(Methylsulfonyl)phenylboronic Acid Pinacol Ester |
CAS: |
1001185-88-1 |
Synonyms: |
4,4,5,5-tetramethyl-2-(3-methylsulfonylphenyl)-1,3,2-dioxaborolane; 4,4,5,5-tetramethyl-2-(3-methylsulfonylphenyl)-1,3,2-dioxaborolane |
IUPAC Name: | 4,4,5,5-tetramethyl-2-(3-methylsulfonylphenyl)-1,3,2-dioxaborolane |
Description: | 3-(Methylsulfonyl)phenylboronic Acid Pinacol Ester (CAS# 1001185-88-1) is a useful research chemical. |
Molecular Weight: | 282.16 |
Molecular Formula: | C13H19O4SB |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC(=CC=C2)S(=O)(=O)C |
InChI: | InChI=1S/C13H19BO4S/c1-12(2)13(3,4)18-14(17-12)10-7-6-8-11(9-10)19(5,15)16/h6-9H,1-5H3 |
InChI Key: | UERYNIKUFOCEAB-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.47010 |
GHS Hazard Statement: | H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2020148325-A1 | Neutral lxr modulators | 20190115 |
WO-2019149658-A1 | Pyrazole- and indazole-substituted oxadiazolopyridine derivatives for use as ghrelin o-acyl transferase (goat) inhibitors | 20180202 |
EP-3746449-A1 | Pyrazole- and indazole-substituted oxadiazolopyridine derivatives for use as ghrelin o-acyl transferase (goat) inhibitors | 20180202 |
US-2021040113-A1 | Pyrazole- and indazole- substituted oxadiazolopyridine derivatives for use as ghrelin o-acyl transferase (goat) inhibitors | 20180202 |
JP-2021512125-A | Pyrazole- and indazole-substituted oxadiazolopyridine derivatives for use as ghrelin O-acyltransferase (GOAT) inhibitors | 20180202 |
Complexity: | 422 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.1097104 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.1097104 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 61 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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