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Methyl 2-[2-(Bromomethyl)phenyl]-2-oxoacetate

Methyl 2-[2-(Bromomethyl)phenyl]-2-oxoacetate - CAS 126534-57-4

Catalog:	BB006601
Product Name:	Methyl 2-[2-(Bromomethyl)phenyl]-2-oxoacetate
CAS:	126534-57-4
Synonyms:	2-[2-(bromomethyl)phenyl]-2-oxoacetic acid methyl ester; methyl 2-[2-(bromomethyl)phenyl]-2-oxoacetate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-[2-(bromomethyl)phenyl]-2-oxoacetate
Description:	Methyl 2-[2-(Bromomethyl)phenyl]-2-oxoacetate (CAS# 126534-57-4 ) is a useful research chemical.
Molecular Weight:	257.08
Molecular Formula:	C10H9BrO3
Canonical SMILES:	COC(=O)C(=O)C1=CC=CC=C1CBr
InChI:	InChI=1S/C10H9BrO3/c1-14-10(13)9(12)8-5-3-2-4-7(8)6-11/h2-5H,6H2,1H3
InChI Key:	IGIHEUUYEWVQHZ-UHFFFAOYSA-N
LogP:	1.93720

Publication Number	Title	Priority Date
AU-6309701-A	Aryl and heteroarylcyclopropyl oxime ethers and their use as fungicides	20000515
ES-2233643-T3	ETERES OF ARIL AND HETEROARILCICLOPROPIL-OXIMAS AND ITS USE AS FUNGICIDES.	20000515
AU-1495801-A	Aryl and heteroarylcylopropyl oxime ethers and their use as fungicides and insecticides	20000121
AU-783042-B2	Aryl and heteroarylcylopropyl oxime ethers and their use as fungicides and insecticides	20000121
KR-100639897-B1	Fungicidal and insecticidal benzyloxy cyclopropyl substituted aromatic compounds	19990505

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Complexity:	227
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	255.97351
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	255.97351
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2