Ethyl 2-Chlorobenzoate - CAS 7335-25-3

Catalog:	BB034823
Product Name:	Ethyl 2-Chlorobenzoate
CAS:	7335-25-3
Synonyms:	2-chlorobenzoic acid ethyl ester; ethyl 2-chlorobenzoate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-chlorobenzoate
Description:	Ethyl 2-Chlorobenzoate (CAS# 7335-25-3) is a useful research chemical.
Molecular Weight:	184.62
Molecular Formula:	C9H9ClO2
Canonical SMILES:	CCOC(=O)C1=CC=CC=C1Cl
InChI:	InChI=1S/C9H9ClO2/c1-2-12-9(11)7-5-3-4-6-8(7)10/h3-6H,2H2,1H3
InChI Key:	RETLCWPMLJPOTP-UHFFFAOYSA-N
Boiling Point:	241-243 °C (lit.)
Density:	1.194 g/cm³
LogP:	2.51670

Publication Number	Title	Priority Date
WO-2021056466-A1	Method for preparing secondary aromatic amine	20190927
CN-112574042-A	Process for preparing secondary aromatic amines	20190927
WO-2020213714-A1	Method for producing cis-(-)-fluocino piperidol	20190418
CN-109694423-A	Catalytic component for vinyl polymerization and preparation method thereof and catalyst for vinyl polymerization	20171024
CN-109694423-B	Catalyst component for ethylene polymerization, preparation method thereof and catalyst for ethylene polymerization	20171024

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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
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7