Ethyl 3,5-Dichlorobenzoate - CAS 91085-56-2

Catalog:	BB040039
Product Name:	Ethyl 3,5-Dichlorobenzoate
CAS:	91085-56-2
Synonyms:	3,5-dichlorobenzoic acid ethyl ester; ethyl 3,5-dichlorobenzoate

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Computed Properties

IUPAC Name:	ethyl 3,5-dichlorobenzoate
Description:	Ethyl 3,5-Dichlorobenzoate (CAS# 91085-56-2) is a useful research chemical.
Molecular Weight:	219.06
Molecular Formula:	C9H8Cl2O2
Canonical SMILES:	CCOC(=O)C1=CC(=CC(=C1)Cl)Cl
InChI:	InChI=1S/C9H8Cl2O2/c1-2-13-9(12)6-3-7(10)5-8(11)4-6/h3-5H,2H2,1H3
InChI Key:	JRLNLVFPSMDPLU-UHFFFAOYSA-N
Boiling Point:	289 °C at 760 mmHg
Density:	1.305 g/cm³
LogP:	3.17010

Publication Number	Title	Priority Date
CN-109648976-B	Co-extrusion two-way stretching PET/PPS composite film and preparation method thereof	20181212
US-2018080314-A1	Method of allocating individual oil or water production contributions from multiple combined sources	20160921
WO-2018057219-A1	Method of allocating individual oil or water production contributions from multiple combined sources	20160921
TW-201341389-A	Heterocyclic pyrazole compounds, method for preparing the same and use thereof	20120412
TW-I553010-B	Heterocyclic pyrazole compounds, method for preparing the same and use thereof	20120412

PMID	Publication Date	Title	Journal
19086554	20070601	Indirect somatic embryogenesis from petal explant of endangered wild population of Fritillaria imperialis	Pakistan journal of biological sciences : PJBS

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Complexity:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.9901349
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	217.9901349
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.4