4-Cyclopropyl-2-fluorophenylboronic Acid Pinacol Ester - CAS 1338718-13-0
Catalog: |
BB007829 |
Product Name: |
4-Cyclopropyl-2-fluorophenylboronic Acid Pinacol Ester |
CAS: |
1338718-13-0 |
Synonyms: |
2-(4-cyclopropyl-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 2-(4-cyclopropyl-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
IUPAC Name: | 2-(4-cyclopropyl-2-fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane |
Description: | 4-Cyclopropyl-2-fluorophenylboronic Acid Pinacol Ester (CAS# 1338718-13-0 ) is a useful research chemical. |
Molecular Weight: | 262.13 |
Molecular Formula: | C15H20FO2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)C3CC3)F |
InChI: | InChI=1S/C15H20BFO2/c1-14(2)15(3,4)19-16(18-14)12-8-7-11(9-13(12)17)10-5-6-10/h7-10H,5-6H2,1-4H3 |
InChI Key: | IYLLOGWYTRFRSF-UHFFFAOYSA-N |
LogP: | 3.00230 |
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, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021074281-A1 | Substituted azacyles as trmp8 modulators | 20191017 |
WO-2016079669-A1 | Labeled amino pyrimidine derivatives | 20141119 |
EP-3119775-A1 | Oxepan-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 20140318 |
EP-3119775-B1 | Oxepan-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 20140318 |
JP-2017507988-A | Oxepan-2-yl-pyrazol-4-yl-heterocyclyl-carboxamide compounds and methods of use | 20140318 |
Complexity: | 338 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.1540382 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.1540382 |
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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