4-Bromo-5-chloro-2-fluoroaniline - CAS 116369-24-5

Catalog:	BB003749
Product Name:	4-Bromo-5-chloro-2-fluoroaniline
CAS:	116369-24-5
Synonyms:	4-bromo-5-chloro-2-fluoroaniline; 4-bromo-5-chloro-2-fluoroaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-bromo-5-chloro-2-fluoroaniline
Description:	4-Bromo-5-chloro-2-fluoroaniline (CAS# 116369-24-5) is a useful research chemical.
Molecular Weight:	224.46
Molecular Formula:	C6H4BrClFN
Canonical SMILES:	C1=C(C(=CC(=C1Cl)Br)F)N
InChI:	InChI=1S/C6H4BrClFN/c7-3-1-5(9)6(10)2-4(3)8/h1-2H,10H2
InChI Key:	SKJMNEFZWYBTHT-UHFFFAOYSA-N
LogP:	3.40500

Publication Number	Title	Priority Date
WO-2021080929-A1	N-(heteroaryl) quinazolin-2-amine derivatives as lrrk2 inhibitors, pharmaceutical compositions, and uses thereof	20191025
WO-2020229427-A1	Antimalarial hexahydropyrimidine analogues	20190514
WO-2017185959-A1	Fused imidazole derivatives having ido/tdo inhibiting activity, and preparation method and use therefor	20160427
CN-109071550-B	Fused imidazole derivative with IDO/TDO inhibitory activity and preparation method and application thereof	20160427
EP-3344619-B1	Phenoxymethyl derivatives	20150904

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GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	124
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	222.91997
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	222.91997
Rotatable Bond Count:	0
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7