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CAS No.: | 34632-69-4 |
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Name: | ETHYL 4-CHLORO-2-QUINAZOLINECARBOXYLATE |
Article Data: | 8 |
Molecular Structure: | |
Formula: | C11H9ClN2O2 |
Molecular Weight: | 236.658 |
Synonyms: | 4-Chloroquinazoline-2-carboxylicacid ethyl ester; |
Density: | 1.342 g/cm3 |
Melting Point: | 100-101 °C |
Boiling Point: | 391.3 °C at 760 mmHg |
Flash Point: | 190.5 °C |
Hazard Symbols: | Xi |
Risk Codes: | 22 |
PSA: | 52.08000 |
LogP: | 2.45990 |
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The Ethyl 4-chloroquinazoline-2-carboxylate is an organic compound with the formula C11H9ClN2O2. The systematic name of this chemical is ethyl 4-chloroquinazoline-2-carboxylate. With the CAS registry number 34632-69-4, it is also named as 2-Quinazolinecarboxylic acid, 4-chloro-, ethyl ester. The product's category is Chiral Chemicals.
Physical properties about Ethyl 4-chloroquinazoline-2-carboxylate are: (1)ACD/LogP: 2.33; (2)#H bond acceptors: 4; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 52.08 Å2; (5)Index of Refraction: 1.615; (6)Molar Refractivity: 61.57 cm3; (7)Molar Volume: 176.3 cm3; (8)Polarizability: 24.41×10-24cm3; (9)Surface Tension: 54.8 dyne/cm; (10)Density: 1.341 g/cm3; (11)Flash Point: 190.5 °C; (12)Enthalpy of Vaporization: 64.09 kJ/mol; (13)Boiling Point: 391.3 °C at 760 mmHg; (14)Vapour Pressure: 2.49E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc2nc(nc1c2cccc1)C(=O)OCC
(2)InChI: InChI=1/C11H9ClN2O2/c1-2-16-11(15)10-13-8-6-4-3-5-7(8)9(12)14-10/h3-6H,2H2,1H3
(3)InChIKey: ZMAJSODACDWUAS-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C11H9ClN2O2/c1-2-16-11(15)10-13-8-6-4-3-5-7(8)9(12)14-10/h3-6H,2H2,1H3
(5)Std. InChIKey: ZMAJSODACDWUAS-UHFFFAOYSA-N