4-Bromo-3-fluoroanisole - CAS 458-50-4
Catalog: |
BB025993 |
Product Name: |
4-Bromo-3-fluoroanisole |
CAS: |
458-50-4 |
Synonyms: |
1-bromo-2-fluoro-4-methoxybenzene; 1-bromo-2-fluoro-4-methoxybenzene |
IUPAC Name: | 1-bromo-2-fluoro-4-methoxybenzene |
Description: | A halo-aryl compound used in the preparation of orally available mGlu1 receptor enhancers. |
Molecular Weight: | 205.02 |
Molecular Formula: | C7H6BrFO |
Canonical SMILES: | COC1=CC(=C(C=C1)Br)F |
InChI: | InChI=1S/C7H6BrFO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3 |
InChI Key: | XANVIFOBBVAKCY-UHFFFAOYSA-N |
Boiling Point: | 195.4 °C at 760 mmHg |
Density: | 1.531 g/cm3 |
LogP: | 2.59680 |
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 |
WO-2021208918-A1 | Tricyclic compounds as egfr inhibitors | 20200414 |
JP-2021155384-A | Pyridine-based fluorine-containing aromatic compounds, their production methods, and pest control agents containing them as active ingredients | 20200330 |
KR-20210106874-A | Hole transporting materials for solar cells and solar cells comprising the same | 20200221 |
WO-2021167214-A1 | Hole transporting material for solar cell, and solar cell comprising same | 20200221 |
WO-2021055630-A1 | Substituted, saturated and unsaturated n-heterocyclic carboxamides and related compounds for their use in the treatment of medical disorders | 20190917 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.95861 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.95861 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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