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Methyl (E)-3-(3,5-Difluoro-4-formylphenyl)acrylate

Methyl (E)-3-(3,5-Difluoro-4-formylphenyl)acrylate - CAS 1639042-39-9

Catalog:	BB012061
Product Name:	Methyl (E)-3-(3,5-Difluoro-4-formylphenyl)acrylate
CAS:	1639042-39-9
Synonyms:	(E)-3-(3,5-difluoro-4-formylphenyl)-2-propenoic acid methyl ester; methyl (E)-3-(3,5-difluoro-4-formylphenyl)prop-2-enoate

Technical Data

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Computed Properties

IUPAC Name:	methyl (E)-3-(3,5-difluoro-4-formylphenyl)prop-2-enoate
Description:	Methyl (E)-3-(3,5-Difluoro-4-formylphenyl)acrylate (CAS# 1639042-39-9) is a useful research chemical.
Molecular Weight:	226.18
Molecular Formula:	C11H8F2O3
Canonical SMILES:	COC(=O)C=CC1=CC(=C(C(=C1)F)C=O)F
InChI:	InChI=1S/C11H8F2O3/c1-16-11(15)3-2-7-4-9(12)8(6-14)10(13)5-7/h2-6H,1H3/b3-2+
InChI Key:	GDGULTXZDPTNNZ-NSCUHMNNSA-N
LogP:	1.96350

Publication Number	Title	Priority Date
WO-2021016254-A1	Estrogen receptor-modulating compounds	20190722
WO-2018130124-A1	Tricyclic compound as selective estrogen receptor down-regulator and use thereof	20170111
WO-2018001232-A1	Acrylic acid-based derivative, preparation method therefor and medical use thereof	20160629
WO-2017182495-A1	Indazole derivatives that down-regulate the estrogen receptor and possess anti-cancer activity	20160420
AU-2017242027-A1	Estrogen receptor modulators	20160401

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Complexity:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	226.04415044
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	226.04415044
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9