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Basic Information
CAS No.: 287493-15-6
Name: 2-Bromo-9,9-diethylfluorene
Article Data: 22
Molecular Structure:
Molecular Structure of 287493-15-6 (2-Bromo-9,9-diethylfluorene)
Formula: C17H17Br
Molecular Weight: 301.226
Synonyms: 2-Bromo-9,9-diethyl-9H-fluorene;2-Bromo-9,9-diethylfluorene;
EINECS: 1312995-182-4
Density: 1.265 g/cm3
Melting Point: 52.0 to 56.0 °C
Boiling Point: 381.033 °C at 760 mmHg
Flash Point: 179.671 °C
PSA: 0.00000
LogP: 5.53560
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  • bwtter 2-Bromo-9,9-diethylfluorene 287493-15-6 CAS NO.287493-15-6

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Specification

The 2-Bromo-9,9-diethylfluorene with the CAS number 287493-15-6 is also called 9H-Fluorene,2-bromo-9,9-diethyl-. The systematic name is 2-bromo-9,9-diethyl-9H-fluorene. Its molecular formula is C17H17Br. The product category is Electronic Chemicals.

The properties of the chemical are: (1)ACD/LogP: 7.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 129869; (6)ACD/BCF (pH 7.4): 129869; (7)ACD/KOC (pH 5.5): 159156; (8)ACD/KOC (pH 7.4): 159156; (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: 1.587; (14)Molar Refractivity: 80.044 cm3; (15)Molar Volume: 238.092 cm3; (16)Polarizability: 31.732×10-24cm3; (17)Surface Tension: 43.053 dyne/cm; (18)Enthalpy of Vaporization: 60.461 kJ/mol; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc2ccc3c1ccccc1C(CC)(CC)c3c2
(2)InChI: InChI=1/C17H17Br/c1-3-17(4-2)15-8-6-5-7-13(15)14-10-9-12(18)11-16(14)17/h5-11H,3-4H2,1-2H3
(3)InChIKey: HJXPGCTYMKCLTR-UHFFFAOYAV