Methyl 2-Bromo-5-fluoro-3-nitrobenzoate - CAS 328547-12-2

Catalog:	BB021439
Product Name:	Methyl 2-Bromo-5-fluoro-3-nitrobenzoate
CAS:	328547-12-2
Synonyms:	2-bromo-5-fluoro-3-nitrobenzoic acid methyl ester; methyl 2-bromo-5-fluoro-3-nitrobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-bromo-5-fluoro-3-nitrobenzoate
Description:	Methyl 2-Bromo-5-fluoro-3-nitrobenzoate (CAS# 328547-12-2 ) is a useful research chemical.
Molecular Weight:	278.03
Molecular Formula:	C8H5BrFNO4
Canonical SMILES:	COC(=O)C1=CC(=CC(=C1Br)[N+](=O)[O-])F
InChI:	InChI=1S/C8H5BrFNO4/c1-15-8(12)5-2-4(10)3-6(7(5)9)11(13)14/h2-3H,1H3
InChI Key:	ALJLYDZKUSJQBO-UHFFFAOYSA-N
LogP:	2.80620

Publication Number	Title	Priority Date
WO-2019174607-A1	Dihydropyridophthalazinone derivative, and preparation method therefor and application thereof	20180314
CN-111868060-A	Dihydropyridophthalazinone derivative, preparation method and application thereof	20180314
US-10457680-B2	Process for preparing a PARP inhibitor, crystalline forms, and uses thereof	20150825
US-2019177325-A1	Process for preparing a parp inhibitor, crystalline forms, and uses thereof	20150825
WO-2017032289-A1	Process for preparing parp inhibitor, crystalline forms, and uses thereof	20150825

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Complexity:	270
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	276.9386
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	276.9386
Rotatable Bond Count:	2
Topological Polar Surface Area:	72.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4