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| CAS No.: | 201731-79-5 |
|---|---|
| Name: | 2-Bromo-9,10-diphenylanthracene |
| Molecular Structure: | |
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| Formula: | C26H17Br |
| Molecular Weight: | 409.325 |
| Synonyms: | 2-Bromo-9,10-diphenylanthracene; |
| Density: | 1.345 g/cm3 |
| Melting Point: | 185.0 to 189.0 °C |
| Boiling Point: | 508.6 °C at 760 mmHg |
| Flash Point: | 252.467 °C |
| PSA: | 0.00000 |
| LogP: | 8.08950 |
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Specification
The systematic name of 2-Bromo-9,10-diphenylanthracene is 2-Bromo-9,10-diphenylanthracene. With the CAS registry number 201731-79-5, it is also named as Anthracene,2-bromo-9,10-diphenyl-. In addition, its molecular formula is C26H17Br and its molecular weight is 409.32.
The other characteristics of 2-Bromo-9,10-diphenylanthracene can be summarized as: (1)ACD/LogP: 9.22; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9; (4)ACD/LogD (pH 7.4): 9; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1797260; (8)ACD/KOC (pH 7.4): 1797260; (9)H bond acceptors: 0; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.709; (14)Molar Refractivity: 118.812 cm3; (15)Molar Volume: 304.419 cm3; (16)Polarizability: 47.101×10-24cm3; (17)Surface Tension: 50.659 dyne/cm; (18)Density: 1.345 g/cm3; (19)Flash Point: 252.467 °C; (20)Enthalpy of Vaporization: 74.95 kJ/mol; (21)Boiling Point: 508.6 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
People can use the following data to convert to the molecule structure.
(1)SMILES:Brc3ccc4c(c1ccccc1c(c2ccccc2)c4c3)c5ccccc5
(2)InChI:InChI=1/C26H17Br/c27-20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-17H
(3)InChIKey:OZNXPZBQVNNJCS-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C26H17Br/c27-20-15-16-23-24(17-20)26(19-11-5-2-6-12-19)22-14-8-7-13-21(22)25(23)18-9-3-1-4-10-18/h1-17H
(5)Std. InChIKey:OZNXPZBQVNNJCS-UHFFFAOYSA-N