Basic information
- Name:
Quinazoline, 6-iodo-
- CAS No.:
848841-54-3
- Molecular Structure:
- Formula:
- C8H5IN2
- Molecular Weight:
- 256.0432
- Synonyms:
- 6-Iodoquinazoline;
- Density:
- 1.939 g/cm3
- Boiling Point:
- 329.088 °C at 760 mmHg
- Flash Point:
- 152.827 °C
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Specification
The Quinazoline, 6-iodo-, with the CAS registry number 848841-54-3, is also known as Iodoquinazoline. This chemical's molecular formula is C8H5IN2 and molecular weight is 256.0432. What's more, its systematic name is called 6-Iodoquinazoline.
Physical properties about Quinazoline, 6-iodo- are: (1) ACD/LogP: 2.15; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.143; (4) ACD/LogD (pH 7.4): 2.149; (5) ACD/BCF (pH 5.5): 24.943; (6) ACD/BCF (pH 7.4): 25.287; (7) ACD/KOC (pH 5.5): 346.602; (8) ACD/KOC (pH 7.4): 351.391; (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: 1.739; (14) Molar Refractivity: 53.185 cm3; (15) Molar Volume: 132.07 cm3; (16) Surface Tension: 65.008 dyne/cm; (17) Density: 1.939 g/cm3; (18) Flash Point: 152.827 °C; (19) Enthalpy of Vaporization: 54.885 kJ/mol; (20) Boiling Point: 329.088 °C at 760 mmHg; (21) Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc1I)cncn2
(2) InChI: InChI=1/C8H5IN2/c9-7-1-2-8-6(3-7)4-10-5-11-8/h1-5H
(3) InChIKey: BLJDQJLSUDXUGL-UHFFFAOYAA