2-Chloro-3-(hydroxymethyl)phenylboronic Acid Pinacol Ester - CAS 1400755-07-8
Catalog: |
BB009031 |
Product Name: |
2-Chloro-3-(hydroxymethyl)phenylboronic Acid Pinacol Ester |
CAS: |
1400755-07-8 |
Synonyms: |
[2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol; [2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
IUPAC Name: | [2-chloro-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
Description: | 2-Chloro-3-(hydroxymethyl)phenylboronic Acid Pinacol Ester (CAS# 1400755-07-8) 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(=CC=C2)CO)Cl |
InChI: | InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)10-7-5-6-9(8-16)11(10)15/h5-7,16H,8H2,1-4H3 |
InChI Key: | HBLMMENVLOTBES-UHFFFAOYSA-N |
Storage: | Inert atmosphere, 2-8 °C |
LogP: | 2.13150 |
Publication Number | Title | Priority Date |
BR-102018007822-A2 | compound, methods for inhibiting pd-1, pd-11 and / or interaction of pd-1 / pd-11 and for cancer treatment, pharmaceutical composition, and kit for treating or preventing cancer or a disease or condition | 20170420 |
CN-110799509-A | PD-1/PD-L1 inhibitors | 20170420 |
KR-20190141183-A | PD-1 / PD-L1 inhibitor | 20170420 |
US-2018305315-A1 | Pd-1/pd-l1 inhibitors | 20170420 |
JP-2020518561-A | PD-1/PD-L1 inhibitor | 20170420 |
Complexity: | 293 |
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: | 2 |
Topological Polar Surface Area: | 38.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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