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| CAS No.: | 944060-66-6 |
|---|---|
| Name: | 2-chloro-8-methoxyquinazoline |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C9H7ClN2O |
| Molecular Weight: | 194.62 |
| Synonyms: | 2-chloro-8-methoxy-quinazoline; |
| Density: | 1.333 g/cm3 |
| Boiling Point: | 221.4 °C at 760 mmHg |
| Flash Point: | 87.7 °C |
| PSA: | 35.01000 |
| LogP: | 2.29180 |
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- Total:31 Page 1 of 1 1
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Specification
The 2-Chloro-8-methoxyquinazoline, with the CAS registry number 944060-66-6, is also known as Quinazoline, 2-chloro-8-methoxy-. It belongs to the product category of Chiral chemicals. This chemical's molecular formula is C9H7ClN2O and molecular weight is 194.62. What's more, its systematic name is 2-chloro-8-methoxy-quinazoline.
Physical properties of 2-Chloro-8-methoxyquinazoline are: (1)ACD/LogP: 2.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.07; (4)ACD/LogD (pH 7.4): 2.07; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 35.01 Å2; (9)Index of Refraction: 1.628; (10)Molar Refractivity: 51.85 cm3; (11)Molar Volume: 145.9 cm3; (12)Polarizability: 20.55×10-24 cm3; (13)Surface Tension: 52 dyne/cm; (14)Density: 1.333 g/cm3; (15)Flash Point: 87.7 °C; (16)Enthalpy of Vaporization: 43.92 kJ/mol; (17)Boiling Point: 221.4 °C at 760 mmHg; (18)Vapour Pressure: 0.159 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COc1cccc2c1nc(nc2)Cl
(2)InChI: InChI=1/C9H7ClN2O/c1-13-7-4-2-3-6-5-11-9(10)12-8(6)7/h2-5H,1H3
(3)InChIKey: OENQTKSMBDNMQX-UHFFFAOYAX