2-Fluoro-3-methoxyaniline - CAS 801282-00-8
Catalog: |
BB036467 |
Product Name: |
2-Fluoro-3-methoxyaniline |
CAS: |
801282-00-8 |
Synonyms: |
2-fluoro-3-methoxyaniline; 2-fluoro-3-methoxyaniline |
IUPAC Name: | 2-fluoro-3-methoxyaniline |
Description: | 2-Fluoro-3-methoxyaniline (CAS# 801282-00-8) is a reagent that is used in the structure-activity relationship studies on a series of cyclopentane-containing macrocyclic inhibitors of hepatitis C virus NS3/4A protease leading to the discovery of TMC435350. |
Molecular Weight: | 141.14 |
Molecular Formula: | C7H8FNO |
Canonical SMILES: | COC1=CC=CC(=C1F)N |
InChI: | InChI=1S/C7H8FNO/c1-10-6-4-2-3-5(9)7(6)8/h2-4H,9H2,1H3 |
InChI Key: | KOSZHDVTNURERE-UHFFFAOYSA-N |
Boiling Point: | 231 °C |
Density: | 1.176 g/cm3 |
MDL: | MFCD11042216 |
LogP: | 1.99770 |
Publication Number | Title | Priority Date |
WO-2021202977-A1 | Pyrrolopyrimidine amines as complement inhibitors | 20200403 |
JP-2021134343-A | A reactive mixture containing a plurality of reactive components and a polymer having an aryl ether ketone structure obtained from this mixture. | 20200227 |
US-2020407344-A1 | Compounds for the treatment of braf-associated diseases and disorders | 20190628 |
WO-2020261156-A1 | Quinazolin-4-one derivatives useful for the treatment of braf-associated diseases and disorders | 20190628 |
WO-2020012427-A1 | Compounds and compositions for the treatment of cystic fibrosis | 20180713 |
Complexity: | 110 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 141.058992041 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 141.058992041 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 35.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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Related Functional Groups
Amines and Anilines
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