8-Bromo-2-chloro-6-fluoroquinazoline - CAS 953039-63-9

Catalog:	BB041678
Product Name:	8-Bromo-2-chloro-6-fluoroquinazoline
CAS:	953039-63-9
Synonyms:	8-bromo-2-chloro-6-fluoroquinazoline; 8-bromo-2-chloro-6-fluoroquinazoline

Technical Data

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Computed Properties

IUPAC Name:	8-bromo-2-chloro-6-fluoroquinazoline
Description:	8-Bromo-2-chloro-6-fluoroquinazoline (CAS# 953039-63-9) is a useful research chemical.
Molecular Weight:	261.48
Molecular Formula:	C8H3BrClFN2
Canonical SMILES:	C1=C(C=C2C=NC(=NC2=C1Br)Cl)F
InChI:	InChI=1S/C8H3BrClFN2/c9-6-2-5(11)1-4-3-12-8(10)13-7(4)6/h1-3H
InChI Key:	XTEWVYPXKPYPRE-UHFFFAOYSA-N
MDL:	MFCD18382554
LogP:	3.18480

Publication Number	Title	Priority Date
WO-2020018848-A1	Methods of culturing and/or expanding stem cells and/or lineage committed progenitor cells using amido compounds	20180719
WO-2019018562-A1	AMIDO COMPOUND AS MODULATORS OF AHR	20170719
US-2021115016-A1	AMIDO COMPOUNDS AS AhR MODULATORS	20170719
EP-3354653-A1	Fused ring pyrimidine compound, intermediate, and preparation method, composition and use thereof	20150721
EP-3354653-B1	Fused ring pyrimidine compound, intermediate, and preparation method, composition and use thereof	20150721

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Related Functional Groups

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[202475-65-8]
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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:	195
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	259.91522
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	259.91522
Rotatable Bond Count:	0
Topological Polar Surface Area:	25.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3