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2-Chloro-4-phenylquinazoline

2-Chloro-4-phenylquinazoline - CAS 29874-83-7

Catalog:	BB020360
Product Name:	2-Chloro-4-phenylquinazoline
CAS:	29874-83-7
Synonyms:	2-chloro-4-phenylquinazoline; 2-chloro-4-phenylquinazoline

Technical Data

Patents

Computed Properties

IUPAC Name:	2-chloro-4-phenylquinazoline
Description:	2-Chloro-4-phenylquinazoline acts as a reagent in the synthesis of MTH1 inhibitors that are potential cancer eradicators.
Molecular Weight:	240.69
Molecular Formula:	C14H9ClN2
Canonical SMILES:	C1=CC=C(C=C1)C2=NC(=NC3=CC=CC=C32)Cl
InChI:	InChI=1S/C14H9ClN2/c15-14-16-12-9-5-4-8-11(12)13(17-14)10-6-2-1-3-7-10/h1-9H
InChI Key:	SFKMVPQJJGJCMI-UHFFFAOYSA-N
Boiling Point:	347.4 °C at 760 mmHg
Density:	1.285 g/cm³
Solubility:	17.6 [ug/mL] (The mean of the results at pH 7.4)
Appearance:	Solid
LogP:	3.95020

Publication Number	Title	Priority Date
CN-113354624-A	Organic compound and organic light-emitting device using same	20210710
CN-113480529-A	Organic compound and organic photoelectric element using same	20210610
CN-113501824-A	Fused heterocyclic organic compound and organic photoelectric element using same	20210610
CN-113307764-A	Compound, electron transport material, organic electroluminescent device and display device	20210508
CN-113321641-A	Compound, electron transport material, organic electroluminescent device and display device	20210508

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Complexity:	253
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	240.045426
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	240.045426
Rotatable Bond Count:	1
Topological Polar Surface Area:	25.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.3