4-(1-Carboxycyclopropyl)phenylboronic Acid Pinacol Ester - CAS 1218790-98-7
Catalog: |
BB005282 |
Product Name: |
4-(1-Carboxycyclopropyl)phenylboronic Acid Pinacol Ester |
CAS: |
1218790-98-7 |
Synonyms: |
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1-cyclopropanecarboxylic acid; 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylic acid |
IUPAC Name: | 1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]cyclopropane-1-carboxylic acid |
Description: | 4-(1-Carboxycyclopropyl)phenylboronic Acid Pinacol Ester (CAS# 1218790-98-7) is a useful research chemical. |
Molecular Weight: | 288.15 |
Molecular Formula: | C16H21O4B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC=C(C=C2)C3(CC3)C(=O)O |
InChI: | InChI=1S/C16H21BO4/c1-14(2)15(3,4)21-17(20-14)12-7-5-11(6-8-12)16(9-10-16)13(18)19/h5-8H,9-10H2,1-4H3,(H,18,19) |
InChI Key: | YZWDIFNCAKRQCL-UHFFFAOYSA-N |
LogP: | 2.10200 |
Publication Number | Title | Priority Date |
CA-3046894-A1 | Heterocyclic compounds useful in the treatment of disease | 20180618 |
JP-2014231508-A | Halogen-substituted heterocyclic compounds | 20130502 |
AU-2014232383-A1 | Heterocyclic compounds useful in the treatment of disease | 20130315 |
AU-2014232383-B2 | Heterocyclic compounds useful in the treatment of disease | 20130315 |
AU-2019202731-A1 | Heterocyclic compounds useful in the treatment of disease | 20130315 |
Complexity: | 418 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 288.1532893 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 288.1532893 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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