| Identification | |
| Name: | Quinazoline,2-chloro-6-fluoro- |
| Synonyms: | 2-Chloro-6-fluoroquinazoline |
| CAS: | 113082-27-2 |
| Molecular Formula: | C8H4ClFN2 |
| Molecular Weight: | 0 |
| InChI: | InChI=1/C8H4ClFN2/c9-8-11-4-5-3-6(10)1-2-7(5)12-8/h1-4H |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.447g/cm3 |
| Refractive index: | 1.634 |
| Specification: |
The 2-Chloro-6-fluoroquinazoline with cas registry number of 113082-27-2, is also called 2-Chloro-6-fluoroquinazoline; Quinazoline, 2-chloro-6-fluoro-. The 2-Chloro-6-fluoroquinazoline belongs to the following product categorie: chiral chemicals. Physical properties of 2-Chloro-6-fluoroquinazoline: (1)ACD/LogP: 2.20; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.2; (4)ACD/LogD (pH 7.4): 2.2; (5)ACD/BCF (pH 5.5): 27.74; (6)ACD/BCF (pH 7.4): 27.74; (7)ACD/KOC (pH 5.5): 375.53; (8)ACD/KOC (pH 7.4): 375.53; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 25.78 Å2; (13)Index of Refraction: 1.634; (14)Molar Refractivity: 45.16 cm3; (15)Molar Volume: 126.1 cm3; (16)Polarizability: 17.9×10-24cm3; (17)Surface Tension: 54.2 dyne/cm; (18)Enthalpy of Vaporization: 40.3 kJ/mol; (19)Vapour Pressure: 1.03 mmHg at 25°C. You can still convert the following datas into molecular structure: (1)SMILES:Fc1cc2cnc(Cl)nc2cc1; (2)InChI:InChI=1/C8H4ClFN2/c9-8-11-4-5-3-6(10)1-2-7(5)12-8/h1-4H; (3)InChIKey:XYJZACFROUOTDS-UHFFFAOYAU; (4)Std. InChI:InChI=1S/C8H4ClFN2/c9-8-11-4-5-3-6(10)1-2-7(5)12-8/h1-4H; (5)Std. InChIKey:XYJZACFROUOTDS-UHFFFAOYSA-N. |
| Safety Data | |
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