The Phthalazine, 6-bromo-, with the CAS registry number 19064-74-5, is also known as ZINC15043076. This chemical's molecular formula is C8H5BrN2 and molecular weight is 209.0427. Its IUPAC name is called 6-bromophthalazine.
Physical properties of Phthalazine, 6-bromo-: (1)ACD/LogP: 1.23; (2)ACD/LogD (pH 5.5): 1.23; (3)ACD/LogD (pH 7.4): 1.23; (4)ACD/BCF (pH 5.5): 5.08; (5)ACD/BCF (pH 7.4): 5.09; (6)ACD/KOC (pH 5.5): 111.45; (7)ACD/KOC (pH 7.4): 111.53; (8)#H bond acceptors: 2; (9)Index of Refraction: 1.685; (10)Molar Refractivity: 47.96 cm3; (11)Molar Volume: 126.1 cm3; (12)Surface Tension: 59.1 dyne/cm; (13)Density: 1.656 g/cm3; (14)Flash Point: 188 °C; (15)Enthalpy of Vaporization: 61.15 kJ/mol; (16)Boiling Point: 387.3 °C at 760 mmHg; (17)Vapour Pressure: 7.41E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC2=CN=NC=C2C=C1Br
(2)InChI: InChI=1S/C8H5BrN2/c9-8-2-1-6-4-10-11-5-7(6)3-8/h1-5H
(3)InChIKey: PEXFBIQTIZNHNP-UHFFFAOYSA-N
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