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Ethyl 2-chloroquinazoline-4-carboxylate

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Name

Ethyl 2-chloroquinazoline-4-carboxylate

EINECS N/A
CAS No. 1092352-52-7 Density 1.341g/cm3
PSA 52.08000 LogP 2.45990
Solubility N/A Melting Point N/A
Formula C11H9ClN2O2 Boiling Point 300.7 °C at 760 mmHg
Molecular Weight 236.65436 Flash Point 135.7 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1092352-52-7 (2-Chloro-4-quinazolinecarboxylic acid ethyl ester) Hazard Symbols N/A
Synonyms

2-Chloro-4-quinazolinecarboxylic acid ethyl ester

 

Ethyl 2-chloroquinazoline-4-carboxylate Specification

The Ethyl 2-chloroquinazoline-4-carboxylate, with CAS registry number 1092352-52-7, has the systematic name of ethyl 2-chloroquinazoline-4-carboxylate. Besides this, it is also called 2-Chloro-4-quinazolinecarboxylic acid ethyl ester. And the chemical formula of this chemical is C11H9ClN2O2.

Physical properties of Ethyl 2-chloroquinazoline-4-carboxylate: (1)ACD/LogP: 2.66; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.66; (4)ACD/LogD (pH 7.4): 2.66; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 3; (8)Polar Surface Area: 52.08 Å2; (9)Index of Refraction: 1.615; (10)Molar Refractivity: 61.57 cm3; (11)Molar Volume: 176.3 cm3; (12)Polarizability: 24.41×10-24cm3; (13)Surface Tension: 54.8 dyne/cm; (14)Density: 1.341 g/cm3; (15)Flash Point: 135.7 °C; (16)Enthalpy of Vaporization: 54.08 kJ/mol; (17)Boiling Point: 300.7 °C at 760 mmHg; (18)Vapour Pressure: 0.0011 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c1c2ccccc2nc(n1)Cl
(2)InChI: InChI=1/C11H9ClN2O2/c1-2-16-10(15)9-7-5-3-4-6-8(7)13-11(12)14-9/h3-6H,2H2,1H3
(3)InChIKey: KLQNJTKSLRIEAW-UHFFFAOYAT
(4)Std. 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
(5)Std. InChIKey: KLQNJTKSLRIEAW-UHFFFAOYSA-N

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