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Methyl 2-(4-Bromophenyl)-2-methylpropionate

Methyl 2-(4-Bromophenyl)-2-methylpropionate - CAS 154825-97-5

Catalog:	BB011059
Product Name:	Methyl 2-(4-Bromophenyl)-2-methylpropionate
CAS:	154825-97-5
Synonyms:	2-(4-bromophenyl)-2-methylpropanoic acid methyl ester; methyl 2-(4-bromophenyl)-2-methylpropanoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-(4-bromophenyl)-2-methylpropanoate
Description:	Methyl 2-(4-Bromophenyl)-2-methylpropionate (CAS# 154825-97-5) is a compound useful in organic synthesis.
Molecular Weight:	257.12
Molecular Formula:	C11H13BrO2
Canonical SMILES:	CC(C)(C1=CC=C(C=C1)Br)C(=O)OC
InChI:	InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-4-6-9(12)7-5-8/h4-7H,1-3H3
InChI Key:	JTYDXPPFLQSEAQ-UHFFFAOYSA-N
Boiling Point:	290 °C
Density:	1.337 g/cm³
MDL:	MFCD02683357
LogP:	2.89970

Publication Number	Title	Priority Date
KR-20210081285-A	Novel Amide Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2	20191223
KR-20210081286-A	Novel Amino Aryl Derivatives and Their Use as Inhibitors against Diacylglycerol Acyltransferase 2	20191223
WO-2021133035-A1	Novel amino aryl derivative useful as diacylglycerol acyltransferase 2 inhibitor and use thereof	20191223
WO-2021133038-A1	Novel amide derivative useful as diacylglycerol acyltransferase 2 inhibitor, and use thereof	20191223
WO-2020135439-A1	Deuterated dihydropyrimidine compound and use thereof as drug	20181225

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GHS Hazard Statement:	H315 (91.67%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.00989
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	256.00989
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3