Methyl 3-Bromo-4-chlorophenylacetate - CAS 960304-99-8

Catalog:	BB041938
Product Name:	Methyl 3-Bromo-4-chlorophenylacetate
CAS:	960304-99-8
Synonyms:	2-(3-bromo-4-chlorophenyl)acetic acid methyl ester; methyl 2-(3-bromo-4-chlorophenyl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 2-(3-bromo-4-chlorophenyl)acetate
Description:	Methyl 3-Bromo-4-chlorophenylacetate (CAS# 960304-99-8 ) is a useful research chemical.
Molecular Weight:	263.52
Molecular Formula:	C9H8BrClO2
Canonical SMILES:	COC(=O)CC1=CC(=C(C=C1)Cl)Br
InChI:	InChI=1S/C9H8BrClO2/c1-13-9(12)5-6-2-3-8(11)7(10)4-6/h2-4H,5H2,1H3
InChI Key:	VUQKIPGKQVTGEV-UHFFFAOYSA-N

Publication Number	Title	Priority Date
WO-2021188936-A1	Phd inhibitor compounds, compositions, and use	20200320
AU-2012356076-A1	Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators	20111221
CA-2858328-A1	Heterocyclyl derivatives and their use as prostaglandin d2 receptor modulators	20111221
EP-2794563-A1	Heterocyclyl derivatives and their use as prostaglandin d2 receptor modulators	20111221
EP-2794563-B1	Heterocyclyl derivatives and their use as prostaglandin d2 receptor modulators	20111221

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[1427004-19-0]
DBCO-PEG4-NHS ester
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[70912-52-6]
1,3-Dioxane-4,6-dione,2,2-dimethyl-5-(2-pyrrolidinylidene)-

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.93962
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.93962
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3