2-Fluoro-4-hydroxyphenylboronic acid - CAS 1376989-43-3
Catalog: |
BB065065 |
Product Name: |
2-Fluoro-4-hydroxyphenylboronic acid |
CAS: |
1376989-43-3 |
Synonyms: |
(2-Fluoro-4-hydroxyphenyl)boronic acid; 2-Fluoro-4-hydroxyphenylboronic acid; 2-fluoro-4-hydroxybenzeneboronic acid; (2-Fluoro-4-hydroxyphenyl)boronicacid |
IUPAC Name: | (2-fluoro-4-hydroxyphenyl)boronic acid |
Molecular Weight: | 155.92 |
Molecular Formula: | C6H6BFO3 |
Canonical SMILES: | B(C1=C(C=C(C=C1)O)F)(O)O |
InChI: | InChI=1S/C6H6BFO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9-11H |
InChI Key: | RARYKHVUFJIGKT-UHFFFAOYSA-N |
Melting Point: | 126 - 128°C |
Solubility: | DMSO (Slightly), Methanol (Slightly) |
Appearance: | Off-White to Light Beige Solid |
Storage: | -20°C, Inert atmosphere |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 |
Signal Word: | Warning |
Complexity: | 133 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 156.0394024 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 156.0394024 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 60.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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