2-Fluoro-4-(hydroxymethyl)phenylboronic acid pinacol ester - CAS 1314141-37-1
Catalog: |
BB065062 |
Product Name: |
2-Fluoro-4-(hydroxymethyl)phenylboronic acid pinacol ester |
CAS: |
1314141-37-1 |
Synonyms: |
(3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)methanol; [3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol; 2-Fluoro-4-(hydroxymethyl)phenylboronic acid pinacol ester |
IUPAC Name: | [3-fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]methanol |
Description: | 2-Fluoro-4-(hydroxymethyl)phenylboronic acid pinacol ester |
Molecular Weight: | 252.09 |
Molecular Formula: | C13H18BFO3 |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=C(C=C(C=C2)CO)F |
InChI: | InChI=1S/C13H18BFO3/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: | JMJGAHCXMCINOI-UHFFFAOYSA-N |
Solubility: | Chloroform, Ethyl Acetate (Slightly) |
Appearance: | Clear Light Yellow Oil |
Storage: | 4°C |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 252.1333028 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 252.1333028 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 38.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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