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Ethyl 3-Bromo-4-(difluoromethoxy)phenylacetate

Ethyl 3-Bromo-4-(difluoromethoxy)phenylacetate - CAS 1445891-64-4

Catalog:	BB009799
Product Name:	Ethyl 3-Bromo-4-(difluoromethoxy)phenylacetate
CAS:	1445891-64-4
Synonyms:	2-[3-bromo-4-(difluoromethoxy)phenyl]acetic acid ethyl ester; ethyl 2-[3-bromo-4-(difluoromethoxy)phenyl]acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-[3-bromo-4-(difluoromethoxy)phenyl]acetate
Description:	Ethyl 3-Bromo-4-(difluoromethoxy)phenylacetate (CAS# 1445891-64-4 ) is a useful research chemical.
Molecular Weight:	309.10
Molecular Formula:	C11H11BrF2O3
Canonical SMILES:	CCOC(=O)CC1=CC(=C(C=C1)OC(F)F)Br
InChI:	InChI=1S/C11H11BrF2O3/c1-2-16-10(15)6-7-3-4-9(8(12)5-7)17-11(13)14/h3-5,11H,2,6H2,1H3
InChI Key:	MCFHNXVEFPDOAD-UHFFFAOYSA-N
LogP:	3.15610

Publication Number	Title	Priority Date
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
JP-2015502399-A	Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators	20111221
JP-6097765-B2	Heterocyclyl derivatives and their use as prostaglandin D2 receptor modulators	20111221

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Related Functional Groups

Carbonyl Compounds

[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[55441-25-3]
1-(2-Cyanophenyl)urea
[1035840-45-9]
1-(5-Methoxy-1,3-benzoxazol-2-yl)piperidine-3-carboxylic acid
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene
[91552-11-3]
2-(3-Chlorophenyl)cyclopropanecarboxylic Acid
[957292-12-5]
2-(3-Cyclopropyl-1H-pyrazol-1-yl)acetic acid

Complexity:	251
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	307.98596
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	307.98596
Rotatable Bond Count:	6
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.7