2,6-Difluorophenylboronic Acid Pinacol Ester - CAS 863868-37-5
Catalog: |
BB037908 |
Product Name: |
2,6-Difluorophenylboronic Acid Pinacol Ester |
CAS: |
863868-37-5 |
Synonyms: |
2-(2,6-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(2,6-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(2,6-difluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 2,6-Difluorophenylboronic Acid Pinacol Ester (CAS# 863868-37-5) is a useful research chemical. |
Molecular Weight: | 240.05 |
Molecular Formula: | C12H15F2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=CC=C2F)F |
InChI: | InChI=1S/C12H15BF2O2/c1-11(2)12(3,4)17-13(16-11)10-8(14)6-5-7-9(10)15/h5-7H,1-4H3 |
InChI Key: | ADHKLRLGCVHQCG-UHFFFAOYSA-N |
Boiling Point: | 281.7 °C at 760 mmHg |
Density: | 1.11 g/cm3 |
MDL: | MFCD09801043 |
LogP: | 2.26400 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
US-2020048241-A1 | Benzothiazole compounds and uses thereof | 20180808 |
US-10899755-B2 | Benzothiazole compounds and uses thereof | 20180808 |
US-2021171518-A1 | Benzothiazole compounds and uses thereof | 20180808 |
US-2019343838-A1 | Kras g12c inhibitors and methods of using the same | 20180504 |
US-11090304-B2 | KRAS G12C inhibitors and methods of using the same | 20180504 |
Complexity: | 270 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 240.1133162 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 240.1133162 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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