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36804-63-4

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Basic Information
CAS No.: 36804-63-4
Name: 1-broMo-9h-fluoren-9-one
Article Data: 14
Molecular Structure:
Molecular Structure of 36804-63-4 (1-broMo-9h-fluoren-9-one)
Formula: C13H7BrO
Molecular Weight: 259.102
Synonyms: Fluoren-9-one, 1-bromo- (7CI);1-Bromofluorenone;NSC 125553;1-Bromo-9-fluorenone;
Density: 1.609 g/cm3
Melting Point: 138℃
Boiling Point: 393.865 °C at 760 mmHg
Flash Point: 132.054 °C
PSA: 17.07000
LogP: 3.66050
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Specification

The 1-Bromo-9H-fluoren-9-one, with the CAS registry number 36804-63-4, is also known as 1-Bromofluorenone. This chemical's molecular formula is C13H7BrO and molecular weight is 259.10. What's more, its systematic name is 1-Bromo-9H-fluoren-9-one. 

Physical properties of 1-Bromo-9H-fluoren-9-one are: (1)ACD/LogP: 4.234; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.23; (4)ACD/LogD (pH 7.4): 4.23; (5)ACD/BCF (pH 5.5): 972.38; (6)ACD/BCF (pH 7.4): 972.38; (7)ACD/KOC (pH 5.5): 4789.52; (8)ACD/KOC (pH 7.4): 4789.52; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.691; (14)Molar Refractivity: 61.616 cm3; (15)Molar Volume: 161.015 cm3; (16)Polarizability: 24.427×10-24cm3; (17)Surface Tension: 56.1 dyne/cm; (18)Density: 1.609 g/cm3; (19)Flash Point: 132.054 °C; (20)Enthalpy of Vaporization: 64.381 kJ/mol; (21)Boiling Point: 393.865 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc3cccc2c1c(cccc1)C(=O)c23
(2)Std. InChI: InChI=1S/C13H7BrO/c14-11-7-3-6-9-8-4-1-2-5-10(8)13(15)12(9)11/h1-7H
(3)Std. InChIKey: YOXUOHDHFCBGHY-UHFFFAOYSA-N