Methyl 3-Chlorophenylacetate - CAS 53088-68-9

Catalog:	BB028047
Product Name:	Methyl 3-Chlorophenylacetate
CAS:	53088-68-9
Synonyms:	2-(3-chlorophenyl)acetic acid methyl ester; methyl 2-(3-chlorophenyl)acetate

Technical Data

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Computed Properties

IUPAC Name:	methyl 2-(3-chlorophenyl)acetate
Description:	Methyl 3-Chlorophenylacetate (CAS# 53088-68-9) is a useful research chemical.
Molecular Weight:	184.62
Molecular Formula:	C9H9ClO2
Canonical SMILES:	COC(=O)CC1=CC(=CC=C1)Cl
InChI:	InChI=1S/C9H9ClO2/c1-12-9(11)6-7-3-2-4-8(10)5-7/h2-5H,6H2,1H3
InChI Key:	HTBBVKFFDDQVER-UHFFFAOYSA-N
Boiling Point:	240.3 °C at 760 mmHg
Density:	1.197 g/cm³
MDL:	MFCD00800679
LogP:	2.05550

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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:	2.4