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81387-89-5

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Basic Information
CAS No.: 81387-89-5
Name: 3,5-Dibromoindole
Article Data: 1
Molecular Structure:
Molecular Structure of 81387-89-5 (3,5-Dibromoindole)
Formula: C8H5Br2N
Molecular Weight: 274.942
Synonyms: 3,5-Dibromoindole;
Density: 2.048 g/cm3
Melting Point: 94℃
Boiling Point: 374.3 °C at 760 mmHg
Flash Point: 180.171 °C
PSA: 15.79000
LogP: 3.69290
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Specification

The 1H-Indole, 3,5-dibromo-, with the CAS registry number 81387-89-5, is also known as 3,5-Dibromoindole. It belongs to the product category of Indole. This chemical's molecular formula is C8H5Br2N and molecular weight is 274.94. What's more, its systematic name is called 3,5-Dibromo-1H-indole.

Physical properties about 1H-Indole, 3,5-dibromo- are: (1) ACD/LogP: 3.55; (2) # of Rule of 5 Violations: 0; (3) #H bond acceptors: 1; (4) #H bond donors: 1; (5) #Freely Rotating Bonds: 0; (6) Polar Surface Area: 15.79 Å2; (7) Index of Refraction: 1.736; (8) Molar Refractivity: 53.909 cm3; (9) Molar Volume: 134.241 cm3; (10) Surface Tension: 58.781 dyne/cm; (11) Density: 2.048 g/cm3; (12) Flash Point: 180.171 °C; (13) Enthalpy of Vaporization: 59.728 kJ/mol; (14) Boiling Point: 374.3 °C at 760 mmHg; (15) Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc2c(cc1)ncc2Br
(2) InChI: InChI=1/C8H5Br2N/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-4,11H
(3) InChIKey: NGTBILHUFBABDS-UHFFFAOYAW