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Ethyl 2,2-Difluoro-2-(2-methoxyphenyl)acetate

Ethyl 2,2-Difluoro-2-(2-methoxyphenyl)acetate - CAS 1150164-80-9

Catalog:	BB003464
Product Name:	Ethyl 2,2-Difluoro-2-(2-methoxyphenyl)acetate
CAS:	1150164-80-9
Synonyms:	2,2-difluoro-2-(2-methoxyphenyl)acetic acid ethyl ester; ethyl 2,2-difluoro-2-(2-methoxyphenyl)acetate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2,2-difluoro-2-(2-methoxyphenyl)acetate
Description:	Ethyl 2,2-Difluoro-2-(2-methoxyphenyl)acetate (CAS# 1150164-80-9) is a useful research chemical.
Molecular Weight:	230.21
Molecular Formula:	C11H12F2O3
Canonical SMILES:	CCOC(=O)C(C1=CC=CC=C1OC)(F)F
InChI:	InChI=1S/C11H12F2O3/c1-3-16-10(14)11(12,13)8-6-4-5-7-9(8)15-2/h4-7H,3H2,1-2H3
InChI Key:	ZYZZZXOHDXPMGK-UHFFFAOYSA-N
Storage:	Sealed in dry, Room Temperature
LogP:	2.35010

Publication Number	Title	Priority Date
WO-2019101144-A1	Selective mcl-1 inhibitor and preparation and use thereof	20171123
CN-111372936-A	Mcl-1 selective inhibitors, their preparation and use	20171123
AU-2015287688-A1	Antiproliferative compounds and methods of use thereof	20140711
AU-2015287688-B2	Antiproliferative compounds and methods of use thereof	20140711
CA-2954784-A1	Antiproliferative compounds and methods of use thereof	20140711

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Complexity:	243
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	230.07545056
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	230.07545056
Rotatable Bond Count:	5
Topological Polar Surface Area:	35.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.8