4-(1,1-Difluoroethyl)phenylboronic Acid Pinacol Ester - CAS 1000994-94-4
Catalog: |
BB000081 |
Product Name: |
4-(1,1-Difluoroethyl)phenylboronic Acid Pinacol Ester |
CAS: |
1000994-94-4 |
Synonyms: |
2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-[4-(1,1-difluoroethyl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 4-(1,1-Difluoroethyl)phenylboronic Acid Pinacol Ester (CAS# 1000994-94-4) is a useful research chemical. |
Molecular Weight: | 268.11 |
Molecular Formula: | C14H19F2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C(C)(F)F |
InChI: | InChI=1S/C14H19BF2O2/c1-12(2)13(3,4)19-15(18-12)11-8-6-10(7-9-11)14(5,16)17/h6-9H,1-5H3 |
InChI Key: | ZEIACFZGYHZGTL-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 3.09750 |
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-2021097110-A1 | Therapeutic compounds and methods of use | 20191113 |
WO-2020023393-A1 | Kinase antagonists and methods for making and using them | 20180723 |
TW-202012410-A | Kinase antagonist and its preparation and use method | 20180723 |
US-2019308950-A1 | Substituted pyridine and pyrimidines and their use as glun2b receptor modulators | 20180404 |
WO-2019193516-A2 | Substituted pyridine and pyrimidines and their use as glun2b receptor modulators | 20180404 |
Complexity: | 320 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.1446163 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.1446163 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 18.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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