4-Chloro-7-fluoroquinoline - CAS 391-82-2

Catalog:	BB023869
Product Name:	4-Chloro-7-fluoroquinoline
CAS:	391-82-2
Synonyms:	4-chloro-7-fluoroquinoline; 4-chloro-7-fluoroquinoline

Technical Data

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Computed Properties

IUPAC Name:	4-chloro-7-fluoroquinoline
Description:	4-Chloro-7-fluoroquinoline (CAS# 391-82-2) is a useful research chemical.
Molecular Weight:	181.59
Molecular Formula:	C9H5ClFN
Canonical SMILES:	C1=CC2=C(C=CN=C2C=C1F)Cl
InChI:	InChI=1S/C9H5ClFN/c10-8-3-4-12-9-5-6(11)1-2-7(8)9/h1-5H
InChI Key:	TTXZTTXOYYOVEV-UHFFFAOYSA-N
Boiling Point:	259.9 °C at 760 mmHg
Density:	1.366 g/cm³
MDL:	MFCD00153094
LogP:	3.02730

Publication Number	Title	Priority Date
KR-20210057680-A	Novel quinoline compounds and uses thereof	20191111
WO-2021096335-A1	Novel quinoline compound and use thereof	20191111
WO-2020163193-A1	Bicyclic ether o-glycoprotein-2-acetamido-2-deoxy-3-d-glucopyranosidase inhibitors	20190204
TW-202045501-A	Bicyclic ether o-glycoprotein-2-acetamido-2-de oxy-3-d-glucopyranosidase inhibitors	20190204
US-2020108071-A1	Imidazopyrimidine derivatives	20181003

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GHS Hazard Statement:	H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	165
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	181.0094550
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	181.0094550
Rotatable Bond Count:	0
Topological Polar Surface Area:	12.9 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3