3-Chloro-4-hydroxy-2-methylphenylboronic Acid Pinacol Ester - CAS 1799612-10-4
Catalog: |
BB013624 |
Product Name: |
3-Chloro-4-hydroxy-2-methylphenylboronic Acid Pinacol Ester |
CAS: |
1799612-10-4 |
Synonyms: |
2-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol; 2-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
IUPAC Name: | 2-chloro-3-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol |
Description: | 3-Chloro-4-hydroxy-2-methylphenylboronic Acid Pinacol Ester (CAS# 1799612-10-4 ) is a useful research chemical. |
Molecular Weight: | 268.54 |
Molecular Formula: | C13H18ClO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C(=C(C=C2)O)Cl)C |
InChI: | InChI=1S/C13H18BClO3/c1-8-9(6-7-10(16)11(8)15)14-17-12(2,3)13(4,5)18-14/h6-7,16H,1-5H3 |
InChI Key: | BTFZTLFXZKHQLJ-UHFFFAOYSA-N |
LogP: | 2.65320 |
Publication Number | Title | Priority Date |
WO-2021067827-A1 | Mcl1 inhibitors and uses thereof | 20191003 |
WO-2020236817-A2 | Mcl-1 inhibitor antibody-drug conjugates and methods of use | 20190520 |
WO-2020236825-A2 | Mcl-1 inhibitor antibody-drug conjugates and methods of use | 20190520 |
TW-202100184-A | Mcl-1 inhibitor antibody-drug conjugates and methods of use | 20190520 |
US-2019055264-A1 | Macrocyclic MCL-1 inhibitors and methods of use | 20170815 |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 268.1037523 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 268.1037523 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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