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CAS No.: | 117929-45-0 |
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Name: | 2-(IODOMETHYL)-ANTHRACENE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C15H11I |
Molecular Weight: | 318.157 |
Synonyms: | 2-(IODOMETHYL)-ANTHRACENE |
Density: | 1.65g/cm3 |
Boiling Point: | 431.1 °C at 760 mmHg |
Flash Point: | 225 °C |
PSA: | 0.00000 |
LogP: | 4.92800 |
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The Anthracene,2-(iodomethyl)-, with CAS registry number 117929-45-0, has the systematic name of 2-(iodomethyl)anthracene. Its molecular weight is 318.15. And the chemical formula of this chemical is C15H11I.
Physical properties of Anthracene,2-(iodomethyl)-: (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)Polar Surface Area: 0 Å2; (13)Index of Refraction: 1.766; (14)Molar Refractivity: 79.82 cm3; (15)Molar Volume: 192.8 cm3; (16)Polarizability: 31.64×10-24cm3; (17)Surface Tension: 55.2 dyne/cm; (18)Density: 1.65 g/cm3; (19)Flash Point: 225 °C; (20)Enthalpy of Vaporization: 66.01 kJ/mol; (21)Boiling Point: 431.1 °C at 760 mmHg; (22)Vapour Pressure: 3.11E-07 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: ICc3ccc2cc1ccccc1cc2c3
(2)InChI: InChI=1/C15H11I/c16-10-11-5-6-14-8-12-3-1-2-4-13(12)9-15(14)7-11/h1-9H,10H2
(3)InChIKey: JWHPNTYBBINCLX-UHFFFAOYAP
(4)Std. InChI: InChI=1S/C15H11I/c16-10-11-5-6-14-8-12-3-1-2-4-13(12)9-15(14)7-11/h1-9H,10H2
(5)Std. InChIKey: JWHPNTYBBINCLX-UHFFFAOYSA-N