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Methyl 3-(3,5-Difluorophenyl)-3-oxopropionate

Methyl 3-(3,5-Difluorophenyl)-3-oxopropionate - CAS 1530834-98-0

Catalog:	BB010850
Product Name:	Methyl 3-(3,5-Difluorophenyl)-3-oxopropionate
CAS:	1530834-98-0
Synonyms:	3-(3,5-difluorophenyl)-3-oxopropanoic acid methyl ester; methyl 3-(3,5-difluorophenyl)-3-oxopropanoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 3-(3,5-difluorophenyl)-3-oxopropanoate
Description:	Methyl 3-(3,5-Difluorophenyl)-3-oxopropionate (CAS# 1530834-98-0 ) is a useful research chemical.
Molecular Weight:	214.17
Molecular Formula:	C10H8F2O3
Canonical SMILES:	COC(=O)CC(=O)C1=CC(=CC(=C1)F)F
InChI:	InChI=1S/C10H8F2O3/c1-15-10(14)5-9(13)6-2-7(11)4-8(12)3-6/h2-4H,5H2,1H3
InChI Key:	LOAANQFTDUHORO-UHFFFAOYSA-N

Publication Number	Title	Priority Date
AU-2006279720-A1	Novel 2'-C-methyl and 4'-C-methyl nucleoside derivatives	20050812
CA-2618713-A1	Novel 2'-c-methyl and 4'-c-methyl nucleoside derivatives	20050812
EP-1915053-A2	Novel 2'-c-methyl and 4'-c-methyl nucleoside derivatives	20050812
JP-2009504677-A	Novel 2'-C-methyl and 4'-C-methyl nucleoside derivatives	20050812
US-2009118223-A1	Novel 2'-c-methyl and 4'c-methyl nucleoside derivatives	20050812

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Related Functional Groups

Carbonyl Compounds

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[87-88-7]
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[865774-78-3]
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[1018125-51-3]
2-(6-Ethyl-3-methyl-4-(trifluoromethyl)-1H-pyrazolo[3,4-b]pyridin-1-yl)acetic acid

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.04415044
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	214.04415044
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8