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139399-64-7

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Basic Information
CAS No.: 139399-64-7
Name: 6-Bromoquinolin-8-ol
Article Data: 8
Molecular Structure:
Molecular Structure of 139399-64-7 (6-Bromoquinolin-8-ol)
Formula: C9H6BrNO
Molecular Weight: 224.057
Synonyms: 6-Bromchinolin-8-ol;8-Quinolinol, 6-bromo-;
Density: 1.705 g/cm3
Melting Point: 138-139 °C(Solv: water (7732-18-5); ethanol (64-17-5))
Boiling Point: 363.2 °C at 760 mmHg
Flash Point: 173.5 °C
PSA: 33.12000
LogP: 2.70290
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Specification

The 6-Bromoquinolin-8-ol, with the CAS registry number 139399-64-7, is also known as 6-Bromchinolin-8-ol and 8-Quinolinol, 6-bromo-. This chemical's molecular formula is C9H6BrNO and molecular weight is 224.054. What's more, its systematic name is called 6-Bromoquinolin-8-ol.

Physical properties about 6-Bromoquinolin-8-ol are: (1)ACD/LogP: 2.99; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 1.87; (5)ACD/BCF (pH 5.5): 8.74; (6)ACD/BCF (pH 7.4): 8.4; (7)ACD/KOC (pH 5.5): 79.82; (8)ACD/KOC (pH 7.4): 76.77; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 22.12 Å2; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 51.75 cm3; (15)Molar Volume: 131.3 cm3; (16)Surface Tension: 63.4 dyne/cm; (17)Density: 1.705 g/cm3; (18)Flash Point: 173.5 °C; (19)Enthalpy of Vaporization: 63.32 kJ/mol; (20)Boiling Point: 363.2 °C at 760 mmHg; (21)Vapour Pressure: 8.76E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cc(O)c2ncccc2c1
(2) InChI: InChI=1/C9H6BrNO/c10-7-4-6-2-1-3-11-9(6)8(12)5-7/h1-5,12H
(3) InChIKey: IMUJTAIQEBHAMT-UHFFFAOYAU