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| CAS No.: | 882670-93-1 |
|---|---|
| Name: | 6-Bromo-2-iodoquinazoline |
| Molecular Structure: | |
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| Formula: | C8H4BrIN2 |
| Molecular Weight: | 334.942 |
| Synonyms: | 6-Bromo-2-iodoquinazoline; |
| Density: | 2.259g/cm3 |
| Boiling Point: | 427.5 °C at 760 mmHg |
| Flash Point: | 212.4 °C |
| PSA: | 25.78000 |
| LogP: | 2.99690 |
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- Total:15 Page 1 of 1 1
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Specification
The 6-Bromo-2-iodoquinazoline, with cas registry number 882670-93-1, has the systematic name of 6-bromo-2-iodoquinazoline. And it is also called quinazoline, 6-bromo-2-iodo-.
Physical properties about this chemical are: (1)ACD/LogP: 3.58; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.58; (4)ACD/LogD (pH 7.4): 3.58; (5)ACD/BCF (pH 5.5): 307.42; (6)ACD/BCF (pH 7.4): 307.42; (7)ACD/KOC (pH 5.5): 2100.5; (8)ACD/KOC (pH 7.4): 2100.5; (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: 1.757; (14)Molar Refractivity: 60.87 cm3; (15)Molar Volume: 148.2 cm3; (16)Polarizability: 24.13×10-24cm3; (17)Surface Tension: 67.8 dyne/cm; (18)Enthalpy of Vaporization: 65.61 kJ/mol; (19)Vapour Pressure: 4.05E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Brc2cc1c(nc(I)nc1)cc2
(2)InChI: InChI=1/C8H4BrIN2/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H
(3)InChIKey: LCJJMJFHBCJRDO-UHFFFAOYAF
(4)Std. InChI: InChI=1S/C8H4BrIN2/c9-6-1-2-7-5(3-6)4-11-8(10)12-7/h1-4H
(5)Std. InChIKey: LCJJMJFHBCJRDO-UHFFFAOYSA-N