Methyl 2-Fluoro-4-methoxy-5-nitrobenzoate - CAS 313533-91-4

Catalog:	BB020887
Product Name:	Methyl 2-Fluoro-4-methoxy-5-nitrobenzoate
CAS:	313533-91-4
Synonyms:	2-fluoro-4-methoxy-5-nitrobenzoic acid methyl ester; methyl 2-fluoro-4-methoxy-5-nitrobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-fluoro-4-methoxy-5-nitrobenzoate
Description:	Methyl 2-Fluoro-4-methoxy-5-nitrobenzoate (CAS# 313533-91-4 ) is a useful research chemical.
Molecular Weight:	229.16
Molecular Formula:	C9H8FNO5
Canonical SMILES:	COC1=C(C=C(C(=C1)F)C(=O)OC)[N+](=O)[O-]
InChI:	InChI=1S/C9H8FNO5/c1-15-8-4-6(10)5(9(12)16-2)3-7(8)11(13)14/h3-4H,1-2H3
InChI Key:	DVRXJAVRVBKYJS-UHFFFAOYSA-N
LogP:	2.05230

Publication Number	Title	Priority Date
AU-5312000-A	Method of inhibiting amyloid protein aggregation and imaging amyloid deposits using isoindoline derivatives	19990610
AU-5455300-A	Method of inhibiting amyloid protein aggregation and imaging amyloid deposits	19990610
AU-775157-B2	Method of inhibiting amyloid protein aggregation and imaging amyloid deposits	19990610
AU-777747-B2	Method of inhibiting amyloid protein aggregation and imaging amyloid deposits using isoindoline derivatives	19990610
BG-106291-A	METHOD FOR INHIBITING AMILOID PROTEIN ACCUMULATION AND FOR IMMOBILIZING DEPOSITIONS USING IZOINDOLINE DERIVATIVES	19990610

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Complexity:	280
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	229.03865052
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	6
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	229.03865052
Rotatable Bond Count:	3
Topological Polar Surface Area:	81.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.7