Ethyl 2-Chloroquinazoline-4-carboxylate - CAS 1092352-52-7

Catalog:	BB002410
Product Name:	Ethyl 2-Chloroquinazoline-4-carboxylate
CAS:	1092352-52-7
Synonyms:	2-chloro-4-quinazolinecarboxylic acid ethyl ester; ethyl 2-chloroquinazoline-4-carboxylate

Technical Data

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Computed Properties

IUPAC Name:	ethyl 2-chloroquinazoline-4-carboxylate
Description:	Ethyl 2-Chloroquinazoline-4-carboxylate (CAS# 1092352-52-7) is a useful research chemical.
Molecular Weight:	236.65
Molecular Formula:	C11H9ClN2O2
Canonical SMILES:	CCOC(=O)C1=NC(=NC2=CC=CC=C21)Cl
InChI:	InChI=1S/C11H9ClN2O2/c1-2-16-10(15)9-7-5-3-4-6-8(7)13-11(12)14-9/h3-6H,2H2,1H3
InChI Key:	KLQNJTKSLRIEAW-UHFFFAOYSA-N
Boiling Point:	300.7 °C at 760 mmHg
Density:	1.341 g/cm³
Storage:	Inert atmosphere, 2-8 °C
LogP:	2.45990

Publication Number	Title	Priority Date
TW-202010742-A	Substituted benzofuran, benzopyrrole,benzothiophene, and structurally related complement inhibitors	20180406
US-2019345135-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
WO-2019195720-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
AU-2019247471-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406
EP-3687506-A1	Substituted benzofuran, benzopyrrole, benzothiophene, and structurally related complement inhibitors	20180406

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Complexity:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	236.0352552
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	236.0352552
Rotatable Bond Count:	3
Topological Polar Surface Area:	52.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1