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

Technical Data

Patents

Computed Properties

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

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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