Methyl 2-Chlorophenylacetate - CAS 57486-68-7

Catalog:	BB029717
Product Name:	Methyl 2-Chlorophenylacetate
CAS:	57486-68-7
Synonyms:	2-(2-chlorophenyl)acetic acid methyl ester; methyl 2-(2-chlorophenyl)acetate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-(2-chlorophenyl)acetate
Description:	Methyl 2-Chlorophenylacetate (CAS# 57486-68-7) is a useful research chemical.
Molecular Weight:	184.62
Molecular Formula:	C9H9ClO2
Canonical SMILES:	COC(=O)CC1=CC=CC=C1Cl
InChI:	InChI=1S/C9H9ClO2/c1-12-9(11)6-7-4-2-3-5-8(7)10/h2-5H,6H2,1H3
InChI Key:	KHBWTRFWQROKJZ-UHFFFAOYSA-N
Boiling Point:	240.3 °C at 760 mmHg
Density:	1.197 g/cm³
LogP:	2.05550

Publication Number	Title	Priority Date
WO-2021202796-A1	Pyrrolidine-pyrazoles as pyruvate kinase activators	20200401
CN-110627627-A	Preparation method of 1- (1-chlorocyclopropyl) -2- (2-chlorphenyl) ethanone and intermediate thereof	20190920
WO-2020232190-A1	Protein kinase inhibitors and uses thereof for the treatment of diseases and conditions	20190516
WO-2020134104-A1	Preparation method for prothioconazole	20181229
WO-2019149091-A1	Probucol derivative, preparation method therefor and use thereof	20180130

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[959574-98-2]
(3-Phenyl-1H-pyrazol-1-yl)acetic acid
[70199-62-1]
(4-Pyridyl)acetone Hydrochloride
[1018141-88-2]
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid

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GHS Hazard Statement:	H315 (100%): 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:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	184.0291072
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	184.0291072
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3