4-Chloro-7-fluoroquinazoline - CAS 16499-62-0

Catalog:	BB012157
Product Name:	4-Chloro-7-fluoroquinazoline
CAS:	16499-62-0
Synonyms:	4-chloro-7-fluoroquinazoline; 4-chloro-7-fluoroquinazoline

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Computed Properties

IUPAC Name:	4-chloro-7-fluoroquinazoline
Description:	4-Chloro-7-fluoroquinazoline (CAS# 16499-62-0) is a useful research chemical.
Molecular Weight:	182.58
Molecular Formula:	C8H4ClFN2
Canonical SMILES:	C1=CC2=C(C=C1F)N=CN=C2Cl
InChI:	InChI=1S/C8H4ClFN2/c9-8-6-2-1-5(10)3-7(6)11-4-12-8/h1-4H
InChI Key:	JHBYQJRHJVEKPK-UHFFFAOYSA-N
Boiling Point:	284.9 °C at 760 mmHg
Density:	1.447 g/cm³
MDL:	MFCD08236729
LogP:	2.42230

Publication Number	Title	Priority Date
CN-112300141-A	Quinazoline-containing myricetin derivative, and preparation method and application thereof	20201012
WO-2020210481-A1	Heterocyclic compounds as kinase inhibitors for therapeutic uses	20190412
TW-202104212-A	Heterocyclic compounds as kinase inhibitors for therapeutic uses	20190412
US-2020352942-A1	Dosage forms and regimens for amino acid compounds	20190408
WO-2020210404-A1	Dosage forms and regimens for amino acid compounds	20190408

PMID	Publication Date	Title	Journal
21522728	20101224	4-[(7-Fluoro-quinazolin-4-yl)-oxy]aniline	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Quinazolines

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[2891993-38-5]
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[29113-33-5]
Ethyl 4-quinazolone-2-carboxylate
[202475-65-8]
N-(3,4-dimethoxyphenyl)-6,7-dimethoxyquinazolin-4-amine
[21599-37-1]
2-Amino-7,7-dimethyl-7,8-dihydroquinazolin-5(6H)-one
[1172851-61-4]
4-Chloro-6-iodo-7-methoxyquinazoline

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
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:	167
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	182.0047040
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	182.0047040
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6