Name: 1H-INDOLE, 3-BROMO-5-METHOXY-
SKU: 85092-83-7

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Basic Information

Molecular Structure:
CAS No.:	85092-83-7
Name:	1H-INDOLE, 3-BROMO-5-METHOXY-
Article Data:	10

Formula:	C9H8 Br N O
Molecular Weight:	226.073
Synonyms:	3-Bromo-5-methoxyindole;
Density:	1.591 g/cm³
Boiling Point:	355.6 °C at 760 mmHg
Flash Point:	168.9 °C
PSA:	25.02000
LogP:	2.93900

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Specification

The 1H-Indole,3-bromo-5-methoxy-, with the CAS registry number 85092-83-7, is also known as 3-Bromo-5-methoxyindole. It belongs to the product category of Indole. This chemical's molecular formula is C₉H₈BrNO and molecular weight is 226.07. What's more, its systematic name is called 3-Bromo-5-methoxy-1H-indole.

Physical properties about 1H-Indole,3-bromo-5-methoxy- are: (1) ACD/LogP: 2.83; (2) # of Rule of 5 Violations: 0; (3) ACD/LogD (pH 5.5): 2.83; (4) ACD/LogD (pH 7.4): 2.83; (5) ACD/BCF (pH 5.5): 83.26; (6) ACD/BCF (pH 7.4): 83.26; (7) ACD/KOC (pH 5.5): 824.64; (8) ACD/KOC (pH 7.4): 824.64; (9) #H bond acceptors: 2; (10) #H bond donors: 1; (11) #Freely Rotating Bonds: 1; (12) Polar Surface Area: 25.02 Å²; (13) Index of Refraction: 1.667; (14) Molar Refractivity: 52.89 cm³; (15) Molar Volume: 142 cm³; (16) Surface Tension: 50 dyne/cm; (17) Density: 1.591 g/cm³; (18) Flash Point: 168.9 °C; (19) Enthalpy of Vaporization: 57.71 kJ/mol; (20) Boiling Point: 355.6 °C at 760 mmHg; (21)Vapour Pressure: 6.34E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: COc1ccc2c(c1)c(c[nH]2)Br
(2) InChI: InChI=1/C9H8BrNO/c1-12-6-2-3-9-7(4-6)8(10)5-11-9/h2-5,11H,1H3
(3) InChIKey: GWHRVHGTNVEUCZ-UHFFFAOYAP