Products Categories
CAS No.: | 620957-95-1 |
---|---|
Name: | Ethyl 4-chloro-6-methyl-2-quinazolinecarboxylate |
Molecular Structure: | |
Formula: | C12H11ClN2O2 |
Molecular Weight: | 250.68094 |
Synonyms: | 2-Quinazolinecarboxylic acid, 4-chloro-6-methyl-, ethyl ester; |
Density: | 1.301 g/cm3 |
Boiling Point: | 405.3 °C at 760 mmHg |
Flash Point: | 198.9 °C |
PSA: | 52.08000 |
LogP: | 2.76830 |
What can I do for you?
Get Best Price
The Ethyl 4-chloro-6-methyl-2-quinazolinecarboxylate, with the CAS registry number 620957-95-1, is also known as 2-Quinazolinecarboxylic acid, 4-chloro-6-methyl-, ethyl ester. This chemical's molecular formula is C12H11ClN2O2 and molecular weight is 250.68094. What's more, its systematic name is Ethyl 4-chloro-6-methylquinazoline-2-carboxylate.
Physical properties about Ethyl 4-chloro-6-methyl-2-quinazolinecarboxylate are: (1)ACD/LogP: 2.80; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 78.32; (6)ACD/BCF (pH 7.4): 78.32; (7)ACD/KOC (pH 5.5): 789.31; (8)ACD/KOC (pH 7.4): 789.31; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 52.08 Å2; (13)Index of Refraction: 1.605; (14)Molar Refractivity: 66.4 cm3; (15)Molar Volume: 192.6 cm3; (16)Polarizability: 26.32×10-24 cm3; (17)Surface Tension: 52.1 dyne/cm; (18)Density: 1.301 g/cm3; (19)Flash Point: 198.9 °C; (20)Enthalpy of Vaporization: 65.68 kJ/mol; (21)Boiling Point: 405.3 °C at 760 mmHg; (22)Vapour Pressure: 8.89E-07 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CCOC(=O)c2nc1ccc(C)cc1c(Cl)n2
(2) InChI: InChI=1/C12H11ClN2O2/c1-3-17-12(16)11-14-9-5-4-7(2)6-8(9)10(13)15-11/h4-6H,3H2,1-2H3
(3) InChIKey: NZKXQPUEYVPGPX-UHFFFAOYAX