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| CAS No.: | 175724-46-6 |
|---|---|
| Name: | 6-Bromo-2-chloro-4-methylquinazoline |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C9H6BrClN2 |
| Molecular Weight: | 257.51 |
| Synonyms: | 6-BROMO-2-CHLORO-4-METHYLQUINAZOLINE |
| Density: | 1.668 g/cm3 |
| Boiling Point: | 319.616 °C at 760 mmHg |
| Flash Point: | 147.099 °C |
| PSA: | 25.78000 |
| LogP: | 3.35410 |
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- Total:17 Page 1 of 1 1
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Specification
This chemical is called 6-Bromo-2-chloro-4-methylquinazoline, and its systematic name is 6-Bromo-2-chloro-4-methylquinazoline. With the molecular formula of C9H6BrClN2, its molecular weight is 257.51. The CAS registry number of this chemical is 175724-46-6. Additionally, its product categories are Quinoline & Isoquinoline.
Other characteristics of the 6-Bromo-2-chloro-4-methylquinazoline can be summarised as followings: (1)ACD/LogP: 2.59; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.59; (4)ACD/LogD (pH 7.4): 2.59; (5)ACD/BCF (pH 5.5): 54.746; (6)ACD/BCF (pH 7.4): 54.746; (7)ACD/KOC (pH 5.5): 610.835; (8)ACD/KOC (pH 7.4): 610.838; (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: 1.67; (14)Molar Refractivity: 57.688 cm3; (15)Molar Volume: 154.407 cm3; (16)Polarizability: 22.869×10-24cm3; (17)Surface Tension: 56.543 dyne/cm; (18)Density: 1.668 g/cm3; (19)Flash Point: 147.099 °C; (20)Enthalpy of Vaporization: 53.888 kJ/mol; (21)Boiling Point: 319.616 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: Cc1c2cc(ccc2nc(n1)Cl)Br
2.InChI: InChI=1/C9H6BrClN2/c1-5-7-4-6(10)2-3-8(7)13-9(11)12-5/h2-4H,1H3
3.InChIKey: RBCVTTGAFBHALI-UHFFFAOYAM