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877133-58-9

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Basic Information
CAS No.: 877133-58-9
Name: 3-PYRIDINOL, 6-CHLORO-4-IODO-
Article Data: 7
Molecular Structure:
Molecular Structure of 877133-58-9 (3-PYRIDINOL, 6-CHLORO-4-IODO-)
Formula: C5H3ClINO
Molecular Weight: 255.442
Synonyms: 6-Chloro-4-iodopyridin-3-ol;
Density: 2.219 g/cm3
Boiling Point: 332.821 °C at 760 mmHg
Flash Point: 155.085 °C
PSA: 33.12000
LogP: 2.04520
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Specification

This chemical is called 3-Pyridinol, 6-chloro-4-iodo-, and it can also be named as 6-Chloro-4-iodopyridin-3-ol. With the molecular formula of C5H3ClINO, its molecular weight is 255.44. The CAS registry number of this chemical is 877133-58-9.

Other characteristics of the 3-Pyridinol, 6-chloro-4-iodo- can be summarised as followings: (1)ACD/LogP: 2.62; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.436; (4)ACD/LogD (pH 7.4): 1.005; (5)ACD/BCF (pH 5.5): 37.818; (6)ACD/BCF (pH 7.4): 1.401; (7)ACD/KOC (pH 5.5): 416.171; (8)ACD/KOC (pH 7.4): 15.414; (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: 1.691; (14)Molar Refractivity: 44.028 cm3; (15)Molar Volume: 115.111 cm3; (16)Polarizability: 17.454×10-24cm3; (17)Surface Tension: 65.852 dyne/cm; (18)Density: 2.219 g/cm3; (19)Flash Point: 155.085 °C; (20)Enthalpy of Vaporization: 59.846 kJ/mol; (21)Boiling Point: 332.821 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C. 

You can still convert the following datas into molecular structure: 
1.SMILES: c1c(c(cnc1Cl)O)I
2.InChI: InChI=1/C5H3ClINO/c6-5-1-3(7)4(9)2-8-5/h1-2,9H
3.InChIKey: CXHOJLOLUDOQIT-UHFFFAOYAU