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Methyl 2-(3-Bromophenyl)-2-methylpropanoate

Methyl 2-(3-Bromophenyl)-2-methylpropanoate - CAS 251458-15-8

Catalog:	BB018761
Product Name:	Methyl 2-(3-Bromophenyl)-2-methylpropanoate
CAS:	251458-15-8
Synonyms:	2-(3-bromophenyl)-2-methylpropanoic acid methyl ester; methyl 2-(3-bromophenyl)-2-methylpropanoate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-(3-bromophenyl)-2-methylpropanoate
Description:	Methyl 2-(3-Bromophenyl)-2-methylpropanoate (CAS# 251458-15-8) is a useful research chemical.
Molecular Weight:	257.12
Molecular Formula:	C11H13BrO2
Canonical SMILES:	CC(C)(C1=CC(=CC=C1)Br)C(=O)OC
InChI:	InChI=1S/C11H13BrO2/c1-11(2,10(13)14-3)8-5-4-6-9(12)7-8/h4-7H,1-3H3
InChI Key:	ZTBCOZQPDZZCJO-UHFFFAOYSA-N
LogP:	2.89970

Publication Number	Title	Priority Date
WO-2021165245-A1	Compounds	20200218
WO-2021155316-A1	Compounds and uses thereof	20200129
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-2021105960-A1	Substituted tricyclic compounds	20191129

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Complexity:	213
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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3