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207115-38-6

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Basic Information
CAS No.: 207115-38-6
Name: BENZOIC ACID, 3-IODO-4-METHOXY-, ETHYL ESTER
Article Data: 2
Molecular Structure:
Molecular Structure of 207115-38-6 (BENZOIC ACID, 3-IODO-4-METHOXY-, ETHYL ESTER)
Formula: C10H11IO3
Molecular Weight: 306.1
Synonyms: Ethyl 3-iodo-4-methoxybenzoate;
Density: 1.611 g/cm3
Boiling Point: 352.7 °C at 760 mmHg
Flash Point: 167.1 °C
PSA: 35.53000
LogP: 2.47650
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Specification

The Benzoicacid, 3-iodo-4-methoxy-, ethyl ester has the CAS registry number 207115-38-6. This chemical's molecular formula is C10H11IO3 and molecular weight is 306.09. What's more, its systematic name is Ethyl 3-iodo-4-methoxybenzoate.

Physical properties of Benzoicacid, 3-iodo-4-methoxy-, ethyl ester are: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.02; (4)ACD/LogD (pH 7.4): 4.02; (5)ACD/BCF (pH 5.5): 672.92; (6)ACD/BCF (pH 7.4): 672.92; (7)ACD/KOC (pH 5.5): 3680.09; (8)ACD/KOC (pH 7.4): 3680.09; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 35.53 Å2; (13)Index of Refraction: 1.569; (14)Molar Refractivity: 62.24 cm3; (15)Molar Volume: 189.9 cm3; (16)Polarizability: 24.67×10-24 cm3; (17)Surface Tension: 42.2 dyne/cm; (18)Density: 1.611 g/cm3; (19)Flash Point: 167.1 °C; (20)Enthalpy of Vaporization: 59.76 kJ/mol; (21)Boiling Point: 352.7 °C at 760 mmHg; (22)Vapour Pressure: 3.76E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CC(=C(C=C1)OC)I
(2)InChI: InChI=1S/C10H11IO3/c1-3-14-10(12)7-4-5-9(13-2)8(11)6-7/h4-6H,3H2,1-2H3
(3)InChIKey: RUMDVSAUEUENFW-UHFFFAOYSA-N