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862847-75-4

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Basic Information
CAS No.: 862847-75-4
Name: 7-Bromo-9,9,9',9'-tetraethyl-2,2'-bifluorene
Molecular Structure:
Molecular Structure of 862847-75-4 (7-Bromo-9,9,9',9'-tetraethyl-2,2'-bifluorene)
Formula: C34H33Br
Molecular Weight: 521.54
Synonyms: 2,2-Bi-9H-fluorene,7-bromo-9,9,9,9-tetraethyl-;2-bromo-7-(9,9-diethyl-9H-fluoren-2-yl)-9,9-diethyl-9H-fluorene;7-Bromo-9,9,9,9-tetraethyl-2,2-bifluorene
Density: 1.196g/cm3
Boiling Point: 640.9 °C at 760 mmHg
Flash Point: 326.7 °C
PSA: 0.00000
LogP: 10.28910
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Specification

The 7-Bromo-9,9,9',9'-tetraethyl-2,2'-bifluorene, with cas registry number 862847-75-4, belongs to the following product categories: Electronic Chemicals. It has the systematic name of 2,2'-bi-9H-fluorene, 7-bromo-9,9,9',9'-tetraethyl-.

Physical properties about this chemical are: (1)ACD/LogP: 12.83; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 12.83; (4)ACD/LogD (pH 7.4): 12.83; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.608; (14)Molar Refractivity: 150.73 cm3; (15)Molar Volume: 435.8 cm3; (16)Polarizability: 59.75×10-24cm3; (17)Surface Tension: 46 dyne/cm; (18)Enthalpy of Vaporization: 91.17 kJ/mol; (19)Vapour Pressure: 1.28E-15 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
(1)SMILES: CCC1(c2ccccc2-c3c1cc(cc3)c4ccc-5c(c4)C(c6c5ccc(c6)Br)(CC)CC)CC
(2)InChI: InChI=1/C34H33Br/c1-5-33(6-2)29-12-10-9-11-25(29)26-16-13-22(19-30(26)33)23-14-17-27-28-18-15-24(35)21-32(28)34(7-3,8-4)31(27)20-23/h9-21H,5-8H2,1-4H3
(3)InChIKey: YSGRFAFFQMZGHK-UHFFFAOYAX
(4)Std. InChI: InChI=1S/C34H33Br/c1-5-33(6-2)29-12-10-9-11-25(29)26-16-13-22(19-30(26)33)23-14-17-27-28-18-15-24(35)21-32(28)34(7-3,8-4)31(27)20-23/h9-21H,5-8H2,1-4H3
(5)Std. InChIKey: YSGRFAFFQMZGHK-UHFFFAOYSA-N