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721457-68-7

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Basic Information
CAS No.: 721457-68-7
Name: 1-(2-Bromonaphthalen-1-yl)naphthalen-2-ol
Article Data: 1
Molecular Structure:
Molecular Structure of 721457-68-7 (1-(2-Bromonaphthalen-1-yl)naphthalen-2-ol)
Formula: C20H13BrO
Molecular Weight: 349.227
Synonyms: 2'-bromo-1,1'-binaphthalen-2-ol;[1,1'-binaphthalen]-2-ol, 2'-bromo-;2'-Bromo-1,1'-binaphthalen-2-ol;2-Naphthol, 1-(2-bromo-1-naphthyl)-;
Density: 1.47 g/cm3
Boiling Point: 462.6 °C at 760 mmHg
Flash Point: 233.6 °C
PSA: 20.23000
LogP: 6.12810
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Specification

The 1-(2-Bromonaphthalen-1-yl)naphthalen-2-ol, with the CAS registry number 721457-68-7, has the systematic name of 2'-bromo-1,1'-binaphthalen-2-ol. It is also called 1-(2-bromonaphthalen-1-yl)naphthalen-2-ol. And the molecular formula of the chemical is C20H13BrO.

The characteristics of 1-(2-Bromonaphthalen-1-yl)naphthalen-2-ol are as followings: (1)ACD/LogP: 5.97; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.97; (4)ACD/LogD (pH 7.4): 5.93; (5)ACD/BCF (pH 5.5): 20264.28; (6)ACD/BCF (pH 7.4): 18682.31; (7)ACD/KOC (pH 5.5): 42093.09; (8)ACD/KOC (pH 7.4): 38807; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.742; (14)Molar Refractivity: 96.1 cm3; (15)Molar Volume: 237.5 cm3; (16)Polarizability: 38.09×10-24cm3; (17)Surface Tension: 57.3 dyne/cm; (18)Density: 1.47 g/cm3; (19)Flash Point: 233.6 °C; (20)Enthalpy of Vaporization: 75.14 kJ/mol; (21)Boiling Point: 462.6 °C at 760 mmHg; (22)Vapour Pressure: 3.52E-09 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Brc1c(c2c(cc1)cccc2)c4c3ccccc3ccc4O
(2)InChI: InChI=1/C20H13BrO/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,22H
(3)InChIKey: GZXVRIZFELKNFL-UHFFFAOYAJ