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13669-57-3

Basic Information
CAS No.: 13669-57-3
Name: 3-Bromo-6-hydroxy quinoline
Article Data: 9
Molecular Structure:
Molecular Structure of 13669-57-3 (3-Bromo-6-hydroxy quinoline)
Formula: C9H6BrNO
Molecular Weight: 224.057
Synonyms: 3-Bromoquinolin-6-ol;
Density: 1.705 g/cm3
Boiling Point: 348.4 °C at 760 mmHg
Flash Point: 164.5 °C
PSA: 33.12000
LogP: 2.70290
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    Product Name: 3-Bromo-6-hydroxy quinoline Synonyms: 3-Bromo-6-hydroxy quinoline;3-Bromo-6-hydroxy quinoline basic information;3-bromoquinolin-6-ol;6-Quinolinol, 3-bromo-;3-Bromo-6-quinolinol CAS: 13669-57-3

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Specification

The 3-Bromo-6-hydroxyquinoline has CAS registry number 13669-57-3. This chemical's molecular formula is C9H6BrNO and molecular weight is 224.054. What's more, its systematic name is 3-Bromoquinolin-6-ol.

Physical properties about 3-Bromo-6-hydroxyquinoline are: (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.69; (5)ACD/BCF (pH 5.5): 71.74; (6)ACD/BCF (pH 7.4): 63.8; (7)ACD/KOC (pH 5.5): 740.66; (8)ACD/KOC (pH 7.4): 658.7; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 33.12 Å2; (13)Index of Refraction: 1.717; (14)Molar Refractivity: 51.75 cm3; (15)Molar Volume: 131.3 cm3; (16)Polarizability: 20.51×10-24 cm3; (17)Surface Tension: 63.4 dyne/cm; (18)Density: 1.705 g/cm3; (19)Flash Point: 164.5 °C; (20)Enthalpy of Vaporization: 61.62 kJ/mol; (21)Boiling Point: 348.4 °C at 760 mmHg; (22)Vapour Pressure: 2.51E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Oc1ccc2ncc(Br)cc2c1
(2) InChI: InChI=1/C9H6BrNO/c10-7-3-6-4-8(12)1-2-9(6)11-5-7/h1-5,12H
(3) InChIKey: IGCRMJVOMNKTGB-UHFFFAOYAN