5-Fluoro-2-(morpholinomethyl)phenylboronic acid, hydrochloride - CAS 1451391-80-2
Catalog: |
BB065164 |
Product Name: |
5-Fluoro-2-(morpholinomethyl)phenylboronic acid, hydrochloride |
CAS: |
1451391-80-2 |
Synonyms: |
5-Fluoro-2-(morpholinomethyl)phenylboronic acid hydrochloride; 5-Fluoro-2-(morpholinomethyl)phenylboronic acid, HCl; (5-fluoro-2-(morpholinomethyl)phenyl)boronic acid hydrochloride; [5-fluoro-2-(morpholin-4-ylmethyl)phenyl]boronic acid; hydrochloride |
IUPAC Name: | [5-fluoro-2-(morpholin-4-ylmethyl)phenyl]boronic acidhydrochloride |
Description: | 5-Fluoro-2-(morpholinomethyl)phenylboronic acid, HCl |
Molecular Weight: | 275.51 |
Molecular Formula: | C11H16BClFNO3 |
Canonical SMILES: | B(C1=C(C=CC(=C1)F)CN2CCOCC2)(O)O.Cl |
InChI: | InChI=1S/C11H15BFNO3.ClH/c13-10-2-1-9(11(7-10)12(15)16)8-14-3-5-17-6-4-14/h1-2,7,15-16H,3-6,8H21H |
InChI Key: | PMNHTRQBVOIROF-UHFFFAOYSA-N |
Complexity: | 239 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 275.0895794 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 275.0895794 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 52.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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