5-Acetyl-2-fluorophenylboronic Acid - CAS 870777-29-0
Catalog: |
BB038241 |
Product Name: |
5-Acetyl-2-fluorophenylboronic Acid |
CAS: |
870777-29-0 |
Synonyms: |
(5-acetyl-2-fluorophenyl)boronic acid; (5-acetyl-2-fluorophenyl)boronic acid |
IUPAC Name: | (5-acetyl-2-fluorophenyl)boronic acid |
Description: | 5-Acetyl-2-fluorophenylboronic Acid (CAS# 870777-29-0) is a useful research chemical. |
Molecular Weight: | 181.96 |
Molecular Formula: | C8H8FO3B |
Canonical SMILES: | B(C1=C(C=CC(=C1)C(=O)C)F)(O)O |
InChI: | InChI=1S/C8H8BFO3/c1-5(11)6-2-3-8(10)7(4-6)9(12)13/h2-4,12-13H,1H3 |
InChI Key: | FQVNUEBNRAIKBR-UHFFFAOYSA-N |
Boiling Point: | 376.1 °C at760 mmHg |
Melting Point: | 112-117 °C (lit.) |
Density: | 1.28 g/cm3 |
MDL: | MFCD06656263 |
LogP: | -0.29190 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109206614-B | Reagent for detecting sugar chain-containing biomolecule and preparation method and application thereof | 20170705 |
EP-2718264-A1 | Benzocycloheptene acetic acids | 20110606 |
EP-2718264-B1 | Benzocycloheptene acetic acids | 20110606 |
KR-20140041589-A | Benzocycloheptene acetic acid | 20110606 |
MX-2013013849-A | ACIDS BENZOCICLOHEPTENO ACETICOS. | 20110606 |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 182.0550524 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 182.0550524 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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