3-Fluoro-2-(hydroxymethyl)phenylboronic acid - CAS 1246633-55-5
Catalog: |
BB065064 |
Product Name: |
3-Fluoro-2-(hydroxymethyl)phenylboronic acid |
CAS: |
1246633-55-5 |
Synonyms: |
(3-Fluoro-2-(hydroxymethyl)phenyl)boronic acid; 3-Fluoro-2-(hydroxymethyl)phenylboronic acid; [3-fluoro-2-(hydroxymethyl)phenyl]boronic acid; Boronic acid, B-[3-fluoro-2-(hydroxymethyl)phenyl]- |
IUPAC Name: | [3-fluoro-2-(hydroxymethyl)phenyl]boronic acid |
Description: | 3-Fluoro-2-(hydroxymethyl)phenylboronic acid |
Molecular Weight: | 169.95 |
Molecular Formula: | C7H8BFO3 |
Canonical SMILES: | B(C1=C(C(=CC=C1)F)CO)(O)O |
InChI: | InChI=1S/C7H8BFO3/c9-7-3-1-2-6(8(11)12)5(7)4-10/h1-3,10-12H,4H2 |
InChI Key: | FNZUUOCXJIJMBF-UHFFFAOYSA-N |
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: | 60.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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