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| CAS No.: | 956101-10-3 |
|---|---|
| Name: | 2-Chloro-7-fluoroquinazoline |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C8H4ClFN2 |
| Molecular Weight: | 182.585 |
| Synonyms: | 2-chloro-7-fluoroquinazoline;Quinazoline,2-chloro-7-fluoro- |
| Density: | 1.447 g/cm3 |
| Boiling Point: | 254.1 °C at 760 mmHg |
| Flash Point: | 107.5 °C |
| PSA: | 25.78000 |
| LogP: | 2.42230 |
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Specification
The 2-Chloro-7-fluoroquinazoline, with the CAS registry number 956101-10-3, is also known as Quinazoline, 2-chloro-7-fluoro-. It belongs to the product category of Chiral Chemicals. This chemical's molecular formula is C8H4ClFN2 and molecular weight is 182.58. Its IUPAC name is called 2-chloro-7-fluoroquinazoline.
Physical properties of 2-Chloro-7-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)Index of Refraction: 1.634; (13)Molar Refractivity: 45.16 cm3; (14)Molar Volume: 126.1 cm3; (15)Surface Tension: 54.2 dyne/cm; (16)Density: 1.447 g/cm3; (17)Flash Point: 107.5 °C; (18)Enthalpy of Vaporization: 47.17 kJ/mol; (19)Boiling Point: 254.1 °C at 760 mmHg; (20)Vapour Pressure: 0.028 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=CN=C(N=C2C=C1F)Cl
(2)InChI: InChI=1S/C8H4ClFN2/c9-8-11-4-5-1-2-6(10)3-7(5)12-8/h1-4H
(3)InChIKey: FRAVNDLHGCORAY-UHFFFAOYSA-N