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Name |
2-Chloro-8-methoxyquinazoline |
EINECS | N/A |
CAS No. | 944060-66-6 | Density | 1.333 g/cm3 |
PSA | 35.01000 | LogP | 2.29180 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H7ClN2O | Boiling Point | 221.4 °C at 760 mmHg |
Molecular Weight | 194.62 | Flash Point | 87.7 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
2-chloro-8-methoxy-quinazoline; |
Article Data | 3 |
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