Methyl alpha-bromo-2-chlorophenylacetate - CAS 85259-19-4

Name: Methyl alpha-bromo-2-chlorophenylacetate
Brand: BOC Sciences
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Catalog:	BB037564
Product Name:	Methyl alpha-bromo-2-chlorophenylacetate
CAS:	85259-19-4
Synonyms:	2-bromo-2-(2-chlorophenyl)acetic acid methyl ester; methyl 2-bromo-2-(2-chlorophenyl)acetate

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Computed Properties

IUPAC Name:	methyl 2-bromo-2-(2-chlorophenyl)acetate
Description:	Methyl alpha-bromo-2-chlorophenylacetate (CAS# 85259-19-4) is a compound useful in organic synthesis.
Molecular Weight:	263.52
Molecular Formula:	C9H8BrClO2
Canonical SMILES:	COC(=O)C(C1=CC=CC=C1Cl)Br
InChI:	InChI=1S/C9H8BrClO2/c1-13-9(12)8(10)6-4-2-3-5-7(6)11/h2-5,8H,1H3
InChI Key:	HMBUCZUZRQQJQD-UHFFFAOYSA-N
Boiling Point:	281 °C
Density:	1.567 g/cm³
MDL:	MFCD08444353
LogP:	2.94900

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[89908-23-6]C23H22N2O5
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[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[17746-05-3]C11H21ClO
Undecanoyl chloride
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[253429-30-0]C12H16BrFO3
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

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GHS Hazard Statement:	H290 (50%): May be corrosive to metals [Warning Corrosive to Metals]
Precautionary Statement:	P234, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P390, P404, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
CN-111499511-A	Preparation of clopidogrel intermediate Î± -bromo (2-chloro) methyl phenylacetate by circularly using aqueous solution method	20200420
WO-2021079380-A1	Improved process for the preparation of (2s)-n-{(1s)-1-(2-chlorophenyl)-2-[(3,3-difluorocyclobutyl)-amino]-2-oxoethyl}-1-(4-cyanopyridin-2-yl)-n-(5-fluoropyridin-3-yl)-5-oxopyrrolidine-2-carboxamide	20191023
TW-202019902-A	Fused ring compound with urea structure	20180705
CA-3105456-A1	Fused ring compound having urea structure	20180705
CN-108246099-B	Automobile indoor VOC remover and preparation method thereof	20180224

Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	261.93962
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	261.93962
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2