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| CAS No.: | 15250-46-1 |
|---|---|
| Name: | 4-IODOPHENYLACETIC ACID ETHYL ESTER |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C10H11IO2 |
| Molecular Weight: | 290.101 |
| Synonyms: | Aceticacid, (p-iodophenyl)-, ethyl ester (7CI,8CI);4-Iodophenylacetic acid ethylester;Ethyl 2-(4-iodophenyl)acetate;Ethyl 4-iodophenylacetate; |
| Density: | 1.604 g/cm3 |
| Boiling Point: | 288.637 °C at 760 mmHg |
| Flash Point: | 128.363 °C |
| PSA: | 26.30000 |
| LogP: | 2.39680 |
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Specification
The Benzeneacetic acid,4-iodo-, ethyl ester, with the CAS registry number 15250-46-1, has the systematic name of ethyl (4-iodophenyl)acetate. It belongs to the following produt categories: Esters; Phenyls & Phenyl-Het. And the molecular formula of this chemical is C10H11IO2.
The physical properties of Benzeneacetic acid,4-iodo-, ethyl ester are as following: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 283; (6)ACD/BCF (pH 7.4): 283; (7)ACD/KOC (pH 5.5): 1981; (8)ACD/KOC (pH 7.4): 1981; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.575; (14)Molar Refractivity: 59.749 cm3; (15)Molar Volume: 180.819 cm3; (16)Polarizability: 23.687×10-24cm3; (17)Surface Tension: 43.278 dyne/cm; (18)Density: 1.604 g/cm3; (19)Flash Point: 128.363 °C; (20)Enthalpy of Vaporization: 52.789 kJ/mol; (21)Boiling Point: 288.637 °C at 760 mmHg; (22)Vapour Pressure: 0.002 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Ic1ccc(CC(=O)OCC)cc1
(2)InChI: InChI=1/C10H11IO2/c1-2-13-10(12)7-8-3-5-9(11)6-4-8/h3-6H,2,7H2,1H3
(3)InChIKey: YDJDSUNRSIVGMI-UHFFFAOYAB