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CAS No.: | 61089-87-0 |
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Name: | Benzofluorene |
Molecular Structure: | |
Formula: | C17H12 |
Molecular Weight: | 216.2772 |
Synonyms: | 3,4-Benzofluorene; |
Density: | 1.185 g/cm3 |
Boiling Point: | 398.3 °C at 760 mmHg |
Flash Point: | 185.4 °C |
The Benzofluorene, with the CAS registry number 61089-87-0, is also known as 3,4-Benzofluorene. This chemical's molecular formula is C17H12 and molecular weight is 216.2772. Its systematic name is called 7H-benzo[c]fluorene.
Physical properties of Benzofluorene: (1)ACD/LogP: 5.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.39; (4)ACD/LogD (pH 7.4): 5.39; (5)ACD/BCF (pH 5.5): 7407.31; (6)ACD/BCF (pH 7.4): 7407.31; (7)ACD/KOC (pH 5.5): 20487.73; (8)ACD/KOC (pH 7.4): 20487.73; (9)Index of Refraction: 1.714; (10)Molar Refractivity: 71.63 cm3; (11)Molar Volume: 182.4 cm3; (12)Surface Tension: 52.2 dyne/cm; (13)Density: 1.185 g/cm3; (14)Flash Point: 185.4 °C; (15)Enthalpy of Vaporization: 62.35 kJ/mol; (16)Boiling Point: 398.3 °C at 760 mmHg; (17)Vapour Pressure: 3.43E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: c4c3ccc2c(c1c(cccc1)C2)c3ccc4
(2)InChI: InChI=1/C17H12/c1-3-7-15-12(5-1)9-10-14-11-13-6-2-4-8-16(13)17(14)15/h1-10H,11H2
(3)InChIKey: FRIJWEQBTIZQMD-UHFFFAOYAO