Ethyl 2-Amino-5-fluorobenzoate - CAS 391-93-5

Catalog:	BB023876
Product Name:	Ethyl 2-Amino-5-fluorobenzoate
CAS:	391-93-5
Synonyms:	2-amino-5-fluorobenzoic acid ethyl ester; ethyl 2-amino-5-fluorobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2-amino-5-fluorobenzoate
Description:	Ethyl 2-Amino-5-fluorobenzoate (CAS# 391-93-5 ) is a useful research chemical.
Molecular Weight:	183.18
Molecular Formula:	C9H10FNO2
Canonical SMILES:	CCOC(=O)C1=C(C=CC(=C1)F)N
InChI:	InChI=1S/C9H10FNO2/c1-2-13-9(12)7-5-6(10)3-4-8(7)11/h3-5H,2,11H2,1H3
InChI Key:	HSKOREORSSOUOG-UHFFFAOYSA-N
LogP:	2.16580

Publication Number	Title	Priority Date
WO-2021018173-A1	Adenosine receptor antagonist	20190730
US-10189825-B2	Heteroaryl compounds and methods of use thereof	20120208
US-10556890-B2	Heteroaryl compounds and methods of use thereof	20120208
US-2015031709-A1	Heteroaryl Compounds and Methods of Use Thereof	20120208
US-2018118727-A1	Heteroaryl compounds and methods of use thereof	20120208

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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:	183.06955672
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	183.06955672
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1