Ethyl 3-Chloro-4-fluorobenzoate - CAS 137521-81-4

Catalog:	BB008616
Product Name:	Ethyl 3-Chloro-4-fluorobenzoate
CAS:	137521-81-4
Synonyms:	3-chloro-4-fluorobenzoic acid ethyl ester; ethyl 3-chloro-4-fluorobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 3-chloro-4-fluorobenzoate
Description:	Ethyl 3-Chloro-4-fluorobenzoate (CAS# 137521-81-4) is a useful research chemical.
Molecular Weight:	202.61
Molecular Formula:	C9H8ClFO2
Canonical SMILES:	CCOC(=O)C1=CC(=C(C=C1)F)Cl
InChI:	InChI=1S/C9H8ClFO2/c1-2-13-9(12)6-3-4-8(11)7(10)5-6/h3-5H,2H2,1H3
InChI Key:	NYURFOITSAPYLU-UHFFFAOYSA-N
Boiling Point:	255.4 °C at 760 mmHg
Density:	1.266 g/cm³
Storage:	Sealed in dry, Room Temperature
MDL:	MFCD06204341
LogP:	2.65580

Publication Number	Title	Priority Date
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
US-10336709-B2	Lp-PLA2 inhibitors	20151002
US-2018282288-A1	Lp-pla2 inhibitors	20151002
WO-2017059135-A1	Lp-pla2 inhibitors	20151002

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Complexity:	187
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.0196853
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.0196853
Rotatable Bond Count:	3
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3