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1H-Indole,3-bromo-5-methyl-

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Name

1H-Indole,3-bromo-5-methyl-

EINECS
CAS No. 1003708-62-0 Density 1.564 g/cm3
Solubility Melting Point
Formula C9H8BrN Boiling Point 328.806 °C at 760 mmHg
Molecular Weight 210.07 Flash Point 152.657 °C
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Safety Risk Codes
Molecular Structure Molecular Structure of 1003708-62-0 (1H-Indole,3-bromo-5-methyl-) Hazard Symbols
Synonyms

3-Bromo-5-methyl-1H-indole;

 

1H-Indole,3-bromo-5-methyl- Specification

The 1H-Indole,3-bromo-5-methyl-, with the CAS registry number 1003708-62-0. This chemical's molecular formula is C9H8BrN and molecular weight is 210.07. What's more, its systematic name is 3-Bromo-5-methyl-1H-indole. 

Physical properties of 1H-Indole,3-bromo-5-methyl- are: (1)ACD/LogP: 3.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.768; (4)ACD/LogD (pH 7.4): 3.768; (5)ACD/BCF (pH 5.5): 429.997; (6)ACD/BCF (pH 7.4): 429.997; (7)ACD/KOC (pH 5.5): 2670.783; (8)ACD/KOC (pH 7.4): 2670.783; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 15.79 Å2; (13)Index of Refraction: 1.685; (14)Molar Refractivity: 51.044 cm3; (15)Molar Volume: 134.332 cm3; (16)Polarizability: 20.235×10-24 cm3; (17)Surface Tension: 50.927 dyne/cm; (18)Density: 1.564 g/cm3; (19)Flash Point: 152.657 °C; (20)Enthalpy of Vaporization: 54.855 kJ/mol; (21)Boiling Point: 328.806 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: Cc1ccc2c(c1)c(c[nH]2)Br
(2)InChI: InChI=1/C9H8BrN/c1-6-2-3-9-7(4-6)8(10)5-11-9/h2-5,11H,1H3
(3)InChIKey: WUXQXAJZTZLYLQ-UHFFFAOYAD

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