3,5-Difluoro-4-methoxyaniline - CAS 363-47-3

Catalog:	BB022941
Product Name:	3,5-Difluoro-4-methoxyaniline
CAS:	363-47-3
Synonyms:	3,5-difluoro-4-methoxyaniline; 3,5-difluoro-4-methoxyaniline

Technical Data

Patents

Computed Properties

IUPAC Name:	3,5-difluoro-4-methoxyaniline
Description:	3,5-Difluoro-4-methoxyaniline (CAS# 363-47-3) is a useful research chemical.
Molecular Weight:	159.13
Molecular Formula:	C7H7F2NO
Canonical SMILES:	COC1=C(C=C(C=C1F)N)F
InChI:	InChI=1S/C7H7F2NO/c1-11-7-5(8)2-4(10)3-6(7)9/h2-3H,10H2,1H3
InChI Key:	POVSDXPEJZMSEJ-UHFFFAOYSA-N
Boiling Point:	249.7 °C at 760 mmHg
Density:	1.281 g/cm³
MDL:	MFCD04115910
LogP:	2.13680

Publication Number	Title	Priority Date
WO-2021046315-A2	Inhibitors of encephalitic alphaviruses	20190905
WO-2020112845-A1	Pharmaceutical compounds and therapeutic methods	20181127
US-2020039979-A1	Substituted-3H-imidazo[4,5-c]pyridine and 1H-pyrrolo[2,3-c]pyridine series of novel Ectonucleotide Pyrophosphatase/Phosphodiesterase-1 (ENPP1) and Stimulator for Interferon Genes (STING) modulators as cancer immunotherapeutics	20180801
WO-2020028724-A1	Substituted-3h-imidazo[4,5-c]pyridine and 1h-pyrrolo[2,3-c]pyridine series of novel ectonucleotide pyrophosphatase/phosphodiesterase-1 (enpp1) and stimulator for interferon genes (sting) modulators as cancer immunotherapeutics	20180801
CN-112996496-A	substituted-3H-imidazo [4,5-c ] pyridines and 1H-pyrrolo [2,3-c ] pyridines as novel ectonucleotide pyrophosphatase/phosphodiesterase-1 (ENPP1) and interferon gene Stimulator (STING) modulators for cancer immunotherapy	20180801

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Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	159.04957017
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	159.04957017
Rotatable Bond Count:	1
Topological Polar Surface Area:	35.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4