3-Fluoro-4-(hydroxymethyl)phenylboronic Acid - CAS 1082066-52-1
Catalog: |
BB002201 |
Product Name: |
3-Fluoro-4-(hydroxymethyl)phenylboronic Acid |
CAS: |
1082066-52-1 |
Synonyms: |
[3-fluoro-4-(hydroxymethyl)phenyl]boronic acid; [3-fluoro-4-(hydroxymethyl)phenyl]boronic acid |
IUPAC Name: | [3-fluoro-4-(hydroxymethyl)phenyl]boronic acid |
Description: | 3-Fluoro-4-(hydroxymethyl)phenylboronic Acid (CAS# 1082066-52-1) is a useful research chemical. |
Molecular Weight: | 169.95 |
Molecular Formula: | C7H8FO3B |
Canonical SMILES: | B(C1=CC(=C(C=C1)CO)F)(O)O |
InChI: | InChI=1S/C7H8BFO3/c9-7-3-6(8(11)12)2-1-5(7)4-10/h1-3,10-12H,4H2 |
InChI Key: | ZAGFMKDDCAZZOI-UHFFFAOYSA-N |
LogP: | -1.00220 |
Publication Number | Title | Priority Date |
AU-2016335043-A1 | Compounds for treatment of cancer and epigenetics | 20151009 |
CA-3001452-A1 | Compounds for treatment of cancer and epigenetics | 20151009 |
JP-2018534276-A | Compounds for cancer treatment and epigenetics | 20151009 |
US-2019071416-A1 | Compounds for treatment of cancer and epigenetics | 20151009 |
AU-2016317806-A1 | Heteroaryl compounds and their use as therapeutic drugs | 20150831 |
Complexity: | 145 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 170.0550524 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 170.0550524 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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