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529-85-1

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Basic Information
CAS No.: 529-85-1
Name: 9-FLUOROANTHRACENE
Article Data: 18
Molecular Structure:
Molecular Structure of 529-85-1 (9-FLUOROANTHRACENE)
Formula: C14H9F
Molecular Weight: 196.224
Synonyms: 9-FLUOROANTHRACENE
Density: 1.212 g/cm3
Boiling Point: 340.9 °C at 760 mmHg
Flash Point: 129.7 °C
PSA: 0.00000
LogP: 4.13210
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Specification

The Anthracene, 9-fluoro- has CAS registry number 529-85-1. This chemical's molecular formula is C14H9F and molecular weight is 196.2196632. What's more, its IUPAC name is 9-Fluoroanthracene.

Physical properties about the Anthracene, 9-fluoro- are: (1)ACD/LogP: 4.73; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.73; (4)ACD/LogD (pH 7.4): 4.73; (5)ACD/BCF (pH 5.5): 2321.99; (6)ACD/BCF (pH 7.4): 2321.99; (7)ACD/KOC (pH 5.5): 8930.56; (8)ACD/KOC (pH 7.4): 8930.56; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.69; (14)Molar Refractivity: 61.93 cm3; (15)Molar Volume: 161.8 cm3; (16)Surface Tension: 46.2 dyne/cm; (17)Density: 1.212 g/cm3; (18)Flash Point: 129.7 °C; (19)Enthalpy of Vaporization: 56.14 kJ/mol; (20)Boiling Point: 340.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000165 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Fc2c3c(cc1c2cccc1)cccc3
(2) InChI: InChI=1/C14H9F/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
(3) InChIKey: RDXADDJRENGLRQ-UHFFFAOYAL