2-Chloro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester - CAS 1485110-17-5
Catalog: |
BB010311 |
Product Name: |
2-Chloro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester |
CAS: |
1485110-17-5 |
Synonyms: |
[3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol; [3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
IUPAC Name: | [3-chloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
Description: | 2-Chloro-4-(hydroxymethyl)phenylboronic Acid Pinacol Ester (CAS# 1485110-17-5) is a useful research chemical for organic synthesis and other chemical processes. |
Molecular Weight: | 268.54 |
Molecular Formula: | C13H18ClO3B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CO)Cl |
InChI: | InChI=1S/C13H18BClO3/c1-12(2)13(3,4)18-14(17-12)10-6-5-9(8-16)7-11(10)15/h5-7,16H,8H2,1-4H3 |
InChI Key: | AAZKVONTUGPEJQ-UHFFFAOYSA-N |
LogP: | 2.43990 |
Publication Number | Title | Priority Date |
AU-2008219166-A1 | Nitrogen-containing heterocyclyl ketones and their use as c-Met inhibitors | 20070216 |
AU-2008219166-B2 | Nitrogen-containing heterocyclyl ketones and their use as c-Met inhibitors | 20070216 |
CA-2676173-A1 | Nitrogen-containing heterocyclyl ketones and their use as c-met inhibitors | 20070216 |
EP-2114898-A2 | Nitrogen-containing heterocyclyl ketones and their use as c-met inhibitors | 20070216 |
JP-2010519204-A | Nitrogen-containing heterocyclic ketones and their use as c-Met inhibitors | 20070216 |
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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