4-Chloro-3-fluoroanisole - CAS 501-29-1
Catalog: |
BB026928 |
Product Name: |
4-Chloro-3-fluoroanisole |
CAS: |
501-29-1 |
Synonyms: |
1-chloro-2-fluoro-4-methoxybenzene; 1-chloro-2-fluoro-4-methoxybenzene |
IUPAC Name: | 1-chloro-2-fluoro-4-methoxybenzene |
Description: | 4-Chloro-3-fluoroanisole (CAS# 501-29-1) is a useful intermediate for the preparation of halogenated adamantanes derivatives for the treatment of diabetes. |
Molecular Weight: | 160.57 |
Molecular Formula: | C7H6ClFO |
Canonical SMILES: | COC1=CC(=C(C=C1)Cl)F |
InChI: | InChI=1S/C7H6ClFO/c1-10-5-2-3-6(8)7(9)4-5/h2-4H,1H3 |
InChI Key: | FAVMSTGWFRDCRR-UHFFFAOYSA-N |
Boiling Point: | 176.9 °C at 760 mmHg |
Density: | 1.239 g/cm3 |
MDL: | MFCD00042570 |
LogP: | 2.48770 |
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 |
CA-3085255-A1 | Eif4e-inhibiting compounds and methods | 20190702 |
WO-2021003157-A1 | Eif4e-inhibiting 4-oxo-3,4-dihydropyrido[3,4-d]pyrimidine compounds | 20190702 |
WO-2019063748-A1 | INHIBITORS OF ROR-GAMMA | 20170930 |
AU-2017302182-A1 | Substituted thiazolo-pyridine compounds as MALT1 inhibitors | 20160729 |
EP-3490995-A1 | Substituted thiazolo-pyridine compounds as malt1 inhibitors | 20160729 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 160.0091207 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 160.0091207 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 9.2 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.6 |
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