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| CAS No.: | 953039-66-2 |
|---|---|
| Name: | 7-Bromo-2-chloroquinazoline |
| Article Data: | 3 |
| Molecular Structure: | |
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| Formula: | C8H4BrClN2 |
| Molecular Weight: | 243.49 |
| Synonyms: | 7-bromo-2-chloroquinazoline;7-BroMo-2-chloroquinazoli...;Quinazoline, 7-broMo-2-chloro- |
| Density: | 1.763 g/cm3 |
| Boiling Point: | 240.2 °C at 760 mmHg |
| Flash Point: | 99.1 °C |
| PSA: | 25.78000 |
| LogP: | 3.04570 |
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Specification
The 7-Bromo-2-chloroquinazoline is an organic compound with the formula C8H4BrClN2. The systematic name of this chemical is 7-bromo-2-chloro-quinazoline. With the CAS registry number 953039-66-2, it is also named as quinazoline, 7-bromo-2-chloro-. The product's category is Chiral Chemicals.
Physical properties about 7-Bromo-2-chloroquinazoline are: (1)ACD/LogP: 2.92; (2)ACD/LogD (pH 5.5): 2.92; (3)ACD/LogD (pH 7.4): 2.92; (4)#H bond acceptors: 2; (5)Polar Surface Area: 25.78 Å2; (6)Index of Refraction: 1.691; (7)Molar Refractivity: 52.86 cm3; (8)Molar Volume: 138.1 cm3; (9)Polarizability: 20.95×10-24cm3; (10)Surface Tension: 60.8 dyne/cm; (11)Density: 1.762 g/cm3; (12)Flash Point: 99.1 °C; (13)Enthalpy of Vaporization: 45.77 kJ/mol; (14)Boiling Point: 240.2 °C at 760 mmHg; (15)Vapour Pressure: 0.0596 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c1cc2cnc(nc2cc1Br)Cl
(2)InChI: InChI=1/C8H4BrClN2/c9-6-2-1-5-4-11-8(10)12-7(5)3-6/h1-4H
(3)InChIKey: LEVIQMAFISIVMA-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C8H4BrClN2/c9-6-2-1-5-4-11-8(10)12-7(5)3-6/h1-4H
(5)Std. InChIKey: LEVIQMAFISIVMA-UHFFFAOYSA-N