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Methyl 2-(4,5-Dichloro-2-nitrophenyl)acetate

Methyl 2-(4,5-Dichloro-2-nitrophenyl)acetate - CAS 286949-63-1

Catalog:	BB019915
Product Name:	Methyl 2-(4,5-Dichloro-2-nitrophenyl)acetate
CAS:	286949-63-1
Synonyms:	2-(4,5-dichloro-2-nitrophenyl)acetic acid methyl ester; methyl 2-(4,5-dichloro-2-nitrophenyl)acetate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-(4,5-dichloro-2-nitrophenyl)acetate
Description:	Methyl 2-(4,5-Dichloro-2-nitrophenyl)acetate (CAS# 286949-63-1) is a useful research chemical.
Molecular Weight:	264.06
Molecular Formula:	C9H7Cl2NO4
Canonical SMILES:	COC(=O)CC1=CC(=C(C=C1[N+](=O)[O-])Cl)Cl
InChI:	InChI=1S/C9H7Cl2NO4/c1-16-9(13)3-5-2-6(10)7(11)4-8(5)12(14)15/h2,4H,3H2,1H3
InChI Key:	UXNCYKUTRKLPRH-UHFFFAOYSA-N
MDL:	MFCD03425813
LogP:	3.14030

Publication Number	Title	Priority Date
US-2008146517-A1	Indole Antiviral Compositions And Methods	20031007
US-2009281052-A1	Indole Antiviral Compositions And Methods	20031007
US-2011178038-A1	Indole Antiviral Compositions And Methods	20031007
US-2012270827-A1	Indole Antiviral Compositions And Methods	20031007
US-7419963-B2	Indole antiviral compositions and methods	20031007

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Complexity:	281
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	262.9752131
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	262.9752131
Rotatable Bond Count:	3
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8