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850080-43-2

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Basic Information
CAS No.: 850080-43-2
Name: 2-(iodomethyl)-phenanthrene
Molecular Structure:
Molecular Structure of 850080-43-2 (2-(iodomethyl)-phenanthrene)
Formula: C15H11I
Molecular Weight: 318.157
Synonyms: 9-(Iodomethyl)phenanthrene;
Density: 1.65 g/cm3
Boiling Point: 431.1 °C at 760 mmHg
Flash Point: 225 °C
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Specification

The Phenanthrene, 2-(iodomethyl)- has the CAS registry number 850080-43-2. This chemical's molecular formula is C15H11I and molecular weight is 318.15. What's more, its systematic name is 9-(Iodomethyl)phenanthrene.

Physical properties of Phenanthrene, 2-(iodomethyl)- are: (1)ACD/LogP: 5.62; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.62; (4)ACD/LogD (pH 7.4): 5.62; (5)ACD/BCF (pH 5.5): 10914.27; (6)ACD/BCF (pH 7.4): 10914.27; (7)ACD/KOC (pH 5.5): 27038.7; (8)ACD/KOC (pH 7.4): 27038.7; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.766; (13)Molar Refractivity: 79.82 cm3; (14)Molar Volume: 192.8 cm3; (15)Polarizability: 31.64×10-24 cm3; (16)Surface Tension: 55.2 dyne/cm; (17)Density: 1.65 g/cm3; (18)Flash Point: 225 °C; (19)Enthalpy of Vaporization: 66.01 kJ/mol; (20)Boiling Point: 431.1 °C at 760 mmHg; (21)Vapour Pressure: 3.11E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ICc2cc3c(c1c2cccc1)cccc3
(2)InChI: InChI=1/C15H11I/c16-10-12-9-11-5-1-2-6-13(11)15-8-4-3-7-14(12)15/h1-9H,10H2
(3)InChIKey: TYORWVCEFBSLOC-UHFFFAOYSA-N