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3566-94-7

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Basic Information
CAS No.: 3566-94-7
Name: FLAZO ORANGE
Article Data: 5
Molecular Structure:
Molecular Structure of 3566-94-7 (FLAZO ORANGE)
Formula: C16H11ClN2O2
Molecular Weight: 298.729
Synonyms: 1-(5-Chloro-2-hydroxyphenylazo)-2-naphthol;Flazo Orange;NSC 83218;1-(2'-Hydroxy-5'-chlorophenylazo)-2-naphthol;2-Naphthol,1-[(5-chloro-2-hydroxyphenyl)azo]- (6CI,7CI,8CI);2-Naphthalenol,1-[(5-chloro-2-hydroxyphenyl)azo]- (9CI);
EINECS: 222-653-2
Density: 1.37 g/cm3
Boiling Point: 532.1 °C at 760 mmHg
Flash Point: 275.6 °C
PSA: 65.18000
LogP: 5.31980
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Specification

The 2-Naphthalenol,1-[2-(5-chloro-2-hydroxyphenyl)diazenyl]-, with the CAS registry number 3566-94-7, is also known as 1-[(5-Chloro-2-hydroxyphenyl)diazenyl]-2-naphthol. Its EINECS number is 222-653-2. This chemical's molecular formula is C16H11ClN2O2 and molecular weight is 298.72. What's more, its systematic name is 1-(5-chloro-2-hydroxy-phenyl)azonaphthalen-2-ol. 

Physical properties of 2-Naphthalenol,1-[2-(5-chloro-2-hydroxyphenyl)diazenyl]- are: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.48; (4)ACD/LogD (pH 7.4): 4.34; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 65.18 Å2; (9)Index of Refraction: 1.666; (10)Molar Refractivity: 81.04 cm3; (11)Molar Volume: 217.9 cm3; (12)Polarizability: 32.13×10-24 cm3; (13)Surface Tension: 52.7 dyne/cm; (14)Density: 1.37 g/cm3; (15)Flash Point: 275.6 °C; (16)Enthalpy of Vaporization: 83.81 kJ/mol; (17)Boiling Point: 532.1 °C at 760 mmHg; (18)Vapour Pressure: 6.17E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: Oc3ccc(Cl)cc3N=Nc1c2ccccc2ccc1O
(2)InChI: InChI=1/C16H11ClN2O2/c17-11-6-8-14(20)13(9-11)18-19-16-12-4-2-1-3-10(12)5-7-15(16)21/h1-9,20-21H
(3)InChIKey: HQKOBNMULFASAN-UHFFFAOYAD