6-Bromo-8-fluoroquinoline - CAS 220513-46-2

Catalog:	BB017324
Product Name:	6-Bromo-8-fluoroquinoline
CAS:	220513-46-2
Synonyms:	6-bromo-8-fluoroquinoline; 6-bromo-8-fluoroquinoline

Technical Data

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Computed Properties

IUPAC Name:	6-bromo-8-fluoroquinoline
Description:	6-Bromo-8-fluoroquinoline (CAS# 220513-46-2) is a useful research chemical.
Molecular Weight:	226.05
Molecular Formula:	C9H5BrFN
Canonical SMILES:	C1=CC2=CC(=CC(=C2N=C1)F)Br
InChI:	InChI=1S/C9H5BrFN/c10-7-4-6-2-1-3-12-9(6)8(11)5-7/h1-5H
InChI Key:	DDCOYWOYIUEOHQ-UHFFFAOYSA-N
Appearance:	Solid
MDL:	MFCD11053791
LogP:	3.13640

Publication Number	Title	Priority Date
US-2021147386-A1	Pyrrolidine and piperidine compounds	20191106
WO-2021090245-A1	Pyrrolidine and piperidine compounds	20191106
WO-2020185738-A1	Heteroaromatic and heterobicyclic aromatic derivatives for the treatment of ferroptosis-related disorders	20190311
WO-2020011245-A1	Polymorphs of 1,2,4-triazine-3-amine derivative and preparation method therefor	20180713
TW-202019898-A	Crystal form and preparation method of 1,2,4-tris-3-amine derivatives	20180713

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	224.95894
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	224.95894
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9