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95306-89-1

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Basic Information
CAS No.: 95306-89-1
Name: 1-IODO-4-PROPOXYBENZENE
Article Data: 7
Molecular Structure:
Molecular Structure of 95306-89-1 (1-IODO-4-PROPOXYBENZENE)
Formula: C9H11IO
Molecular Weight: 262.09
Synonyms: 1-Iodo-4-propoxybenzene;4-Propoxyiodobenzene;4-Iodophenyl propyl ether;
Density: 1.555g/cm3
Boiling Point: 268.2 °C at 760 mmHg
Flash Point: 116 °C
PSA: 9.23000
LogP: 3.08000
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Specification

The Benzene,1-iodo-4-propoxy-, with CAS registry number 95306-89-1, has the systematic name of 1-iodo-4-propoxybenzene. Its molecular weight is 262.0875. And the chemical formula of this chemical is C9H11IO.

Physical properties of Benzene,1-iodo-4-propoxy-: (1)ACD/LogP: 4.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.45; (4)ACD/LogD (pH 7.4): 4.45; (5)ACD/BCF (pH 5.5): 1427.21; (6)ACD/BCF (pH 7.4): 1427.21; (7)ACD/KOC (pH 5.5): 6303.5; (8)ACD/KOC (pH 7.4): 6303.5; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.567; (14)Molar Refractivity: 55.1 cm3; (15)Molar Volume: 168.5 cm3; (16)Polarizability: 21.84×10-24cm3; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.555 g/cm3; (19)Flash Point: 116 °C; (20)Enthalpy of Vaporization: 48.59 kJ/mol; (21)Boiling Point: 268.2 °C at 760 mmHg; (22)Vapour Pressure: 0.0129 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(OCCC)cc1
(2)InChI: InChI=1/C9H11IO/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3
(3)InChIKey: GQJCFYZXZYFGLV-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C9H11IO/c1-2-7-11-9-5-3-8(10)4-6-9/h3-6H,2,7H2,1H3
(5)Std. InChIKey: GQJCFYZXZYFGLV-UHFFFAOYSA-N