3-Bromo-2-fluorophenylboronic Acid - CAS 352535-97-8
Catalog: |
BB022578 |
Product Name: |
3-Bromo-2-fluorophenylboronic Acid |
CAS: |
352535-97-8 |
Synonyms: |
(3-bromo-2-fluorophenyl)boronic acid; (3-bromo-2-fluorophenyl)boronic acid |
IUPAC Name: | (3-bromo-2-fluorophenyl)boronic acid |
Description: | 3-Bromo-2-fluorophenylboronic Acid (CAS# 352535-97-8) is a useful research chemical. |
Molecular Weight: | 218.82 |
Molecular Formula: | C6H5BrFO2B |
Canonical SMILES: | B(C1=C(C(=CC=C1)Br)F)(O)O |
InChI: | InChI=1S/C6H5BBrFO2/c8-5-3-1-2-4(6(5)9)7(10)11/h1-3,10-11H |
InChI Key: | QCLOSORNRRMFIA-UHFFFAOYSA-N |
Boiling Point: | 326.6 °C at 760 mmHg |
Density: | 1.75 g/cm3 |
MDL: | MFCD05664228 |
LogP: | 0.26800 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-20200061721-A | Organic compound and organic electroluminescent device using the same | 20181126 |
WO-2020111663-A1 | Organic compound and organic electroluminescent device using same | 20181126 |
AU-2018290511-A1 | Dihydropyrimidine compounds and uses thereof in medicine | 20170626 |
EP-3658554-A1 | Dihydropyrimidine compounds and uses thereof in medicine | 20170626 |
US-2020115381-A1 | Dihydropyrimidine compounds and uses thereof in medicine | 20170626 |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 217.95500 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 217.95500 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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