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406170-09-0

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Basic Information
CAS No.: 406170-09-0
Name: 4-BROMO-3-IODOINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER
Molecular Structure:
Molecular Structure of 406170-09-0 (4-BROMO-3-IODOINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER)
Formula: C13H13BrINO2
Molecular Weight: 422.06
Synonyms: 4-BROMO-3-IODOINDOLE-1-CARBOXYLIC ACID TERT-BUTYL ESTER;4-BROMO-3-IODOINDOLE, N-BOC PROTECTED;4-Bromo-3-iodoindole, N-BOC protected 98%;4-bromo-3-iodoindole-1-carboxylic acid t-butyl ester;1H-Indole-1-carboxylic acid, 4-broMo-3-iodo-, 1,1-diMethylethyl ester
Density: 1.81 g/cm3
Boiling Point: 434 °C at 760 mmHg
Flash Point: 216.3 °C
Hazard Symbols: IrritantXi
PSA: 31.23000
LogP: 4.79160
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  • 4-Bromo-3-iodoindole, N-BOC protected 98%

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    406170-09-0

    4-Bromo-3-iodoindole, N-BOC protected 98%

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    Ansciep Chemical is a professional enterprise manufacturing and distributing fine chemicals and speciality chemicals. We have been dedicated to heterocycle compounds and phenyl rings for tens of years. This is our mature product for export. Our quali

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Specification

This chemical is called tert-Butyl 4-bromo-3-iodo-indole-1-carboxylate, and its CAS registry number is 406170-09-0. With the molecular formula of C13H13BrINO2, its molecular weight is 422.06.

Other characteristics of the tert-Butyl 4-bromo-3-iodo-indole-1-carboxylate can be summarised as followings: (1)ACD/LogP: 5.67; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.67; (4)ACD/LogD (pH 7.4): 5.67 ; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 31.23 Å2; (9)Index of Refraction: 1.64; (10)Molar Refractivity: 83.74 cm3; (11)Molar Volume: 232.4 cm3; (12)Polarizability: 33.19×10-24cm3; (13)Surface Tension: 45.6 dyne/cm; (14)Density: 1.81 g/cm3; (15)Flash Point: 216.3 °C; (16)Enthalpy of Vaporization: 69 kJ/mol; (17)Boiling Point: 434 °C at 760 mmHg; (18)Vapour Pressure: 9.82E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CC(C)(C)OC(=O)n1cc(c2c1cccc2Br)I
2.InChI: InChI=1/C13H13BrINO2/c1-13(2,3)18-12(17)16-7-9(15)11-8(14)5-4-6-10(11)16/h4-7H,1-3H3
3.InChIKey: CYHAIEGIFOBUMF-UHFFFAOYAB