Methyl 4-Amino-3-bromo-5-fluorobenzoate - CAS 1123171-91-4

Catalog:	BB002938
Product Name:	Methyl 4-Amino-3-bromo-5-fluorobenzoate
CAS:	1123171-91-4
Synonyms:	4-amino-3-bromo-5-fluorobenzoic acid methyl ester; methyl 4-amino-3-bromo-5-fluorobenzoate

Technical Data

Patents

Computed Properties

IUPAC Name:	methyl 4-amino-3-bromo-5-fluorobenzoate
Description:	Methyl 4-Amino-3-bromo-5-fluorobenzoate (CAS# 1123171-91-4) is a useful research chemical.
Molecular Weight:	248.05
Molecular Formula:	C8H7BrFNO2
Canonical SMILES:	COC(=O)C1=CC(=C(C(=C1)Br)N)F
InChI:	InChI=1S/C8H7BrFNO2/c1-13-8(12)4-2-5(9)7(11)6(10)3-4/h2-3H,11H2,1H3
InChI Key:	RDASOBRMXWNFNB-UHFFFAOYSA-N
Storage:	Keep in dark place, Inert atmosphere, Room temperature
MDL:	MFCD11846084
LogP:	2.53820

Publication Number	Title	Priority Date
EP-3848356-A1	Aryl-n-aryl derivatives for treating a rna virus infection	20200107
WO-2021013733-A1	Aryl-n-aryl derivatives for treating a rna virus infection	20190719
CN-111777526-A	N-benzoylaniline derivatives, preparation method and application thereof	20190404
AU-2008290561-A1	Aminobenzyl-substituted cyclic sulfones useful as BACE inhibitors	20070823
CA-2697254-A1	Aminobenzyl-substituted cyclic sulfones useful as bace inhibitors	20070823

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Complexity:	203
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.96442
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	246.96442
Rotatable Bond Count:	2
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.9