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178685-06-8

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Basic Information
CAS No.: 178685-06-8
Name: 4-(IODOMETHYL)-9H-XANTHENE
Molecular Structure:
Molecular Structure of 178685-06-8 (4-(IODOMETHYL)-9H-XANTHENE)
Formula: C14H11IO
Molecular Weight: 322.14
Synonyms: 4-(Iodomethyl)-9H-xanthene;
Density: 1.675 g/cm3
Boiling Point: 408.5 °C at 760 mmHg
Flash Point: 200.9 °C
PSA: 9.23000
LogP: 4.31810
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Specification

The 9H-Xanthene, 4-(iodomethyl)-, has the CAS registry number of 178685-06-8. This chemical's molecular formula is C14H11IO and molecular weight is 322.14. What's more, its systematic name is 4-(Iodomethyl)-9H-xanthene.

Physical properties about 9H-Xanthene, 4-(iodomethyl)- are: (1)ACD/LogP: 4.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.86; (4)ACD/LogD (pH 7.4): 4.86; (5)ACD/BCF (pH 5.5): 2921.07; (6)ACD/BCF (pH 7.4): 2921.07; (7)ACD/KOC (pH 5.5): 10525.21; (8)ACD/KOC (pH 7.4): 10525.21; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.687; (14)Molar Refractivity: 73.28 cm3; (15)Molar Volume: 192.2 cm3; (16)Polarizability: 29.05×10-24 cm3; (17)Surface Tension: 54.4 dyne/cm; (18)Density: 1.675 g/cm3; (19)Flash Point: 200.9 °C; (20)Enthalpy of Vaporization: 63.48 kJ/mol; (21)Boiling Point: 408.5 °C at 760 mmHg; (22)Vapour Pressure: 1.65E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: ICc3cccc2c3Oc1c(cccc1)C2
(2) InChI: InChI=1/C14H11IO/c15-9-12-6-3-5-11-8-10-4-1-2-7-13(10)16-14(11)12/h1-7H,8-9H2
(3) InChIKey: FXDOYEMUNQSHCW-UHFFFAOYAM