Name: 3-BroMo-5-Methyl-1H-indole
SKU: 1003708-62-0

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Basic Information

Molecular Structure:
CAS No.:	1003708-62-0
Name:	3-BroMo-5-Methyl-1H-indole
Article Data:	5

Formula:	C₉H₈BrN
Molecular Weight:	210.073
Synonyms:	3-Bromo-5-methyl-1H-indole;
Density:	1.564 g/cm³
Boiling Point:	328.806 °C at 760 mmHg
Flash Point:	152.657 °C
PSA:	15.79000
LogP:	3.23880

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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