2-Chloroethyl Benzoate - CAS 939-55-9

Catalog:	BB041139
Product Name:	2-Chloroethyl Benzoate
CAS:	939-55-9
Synonyms:	benzoic acid 2-chloroethyl ester; 2-chloroethyl benzoate

Technical Data

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Computed Properties

IUPAC Name:	2-chloroethyl benzoate
Description:	2-Chloroethyl Benzoate (CAS# 939-55-9) is a useful research chemical.
Molecular Weight:	184.62
Molecular Formula:	C9H9ClO2
Canonical SMILES:	C1=CC=C(C=C1)C(=O)OCCCl
InChI:	InChI=1S/C9H9ClO2/c10-6-7-12-9(11)8-4-2-1-3-5-8/h1-5H,6-7H2
InChI Key:	ANPPGQUFDXLAGY-UHFFFAOYSA-N
Boiling Point:	264.8 °C at 760 mmHg
Density:	1.189 g/cm³
MDL:	MFCD00045290
LogP:	2.08220

Publication Number	Title	Priority Date
CN-109021246-A	A kind of temperature-responsive metal organic frame nanocrystal and preparation method and application	20180817
CN-109694423-B	Catalyst component for ethylene polymerization, preparation method thereof and catalyst for ethylene polymerization	20171024
US-2020064334-A1	Dock Derived Compound against Laminin Receptor (37 LR) and Uses thereof	20170829
US-11022604-B2	Dock derived compound against laminin receptor (37 LR) and uses thereof	20170829
CN-105377847-A	Kinase inhibitors	20130606

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Complexity:	142
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:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4