CAS No.6980-11-6,7-chloro-1H-imidazo[4,5-b]pyridine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	6980-11-6
Name:	7-chloro-1H-imidazo[4,5-b]pyridine
Article Data:	7

Formula:	C₆H₄ClN₃
Molecular Weight:	153.571
Synonyms:	1H-Imidazo[4,5-b]pyridine,7-chloro- (8CI,9CI);7-Chloro-3H-imidazo[4,5-b]pyridine;1H-imidazo[4,5-b]pyridine, 7-chloro-;
Density:	1.532 g/cm³
Boiling Point:	396.465 °C at 760 mmHg
Flash Point:	225.838 °C
PSA:	41.57000
LogP:	1.61130

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Specification

The 3H-Imidazo[4,5-b]pyridine,7-chloro-, with the CAS registry number 6980-11-6, has the systematic name of 7-chloro-3H-imidazo[4,5-b]pyridine. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C₆H₄ClN₃.

The characteristics of 3H-Imidazo[4,5-b]pyridine,7-chloro- are as followings: (1)ACD/LogP: 2.21; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 3; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 78; (8)ACD/KOC (pH 7.4): 59; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 41.57 Å²; (13)Index of Refraction: 1.72; (14)Molar Refractivity: 39.606 cm³; (15)Molar Volume: 100.27 cm³; (16)Polarizability: 15.701×10^-24cm³; (17)Surface Tension: 74.795 dyne/cm; (18)Density: 1.532 g/cm³; (19)Flash Point: 225.838 °C; (20)Enthalpy of Vaporization: 62.154 kJ/mol; (21)Boiling Point: 396.465 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccnc2ncnc12
(2)InChI: InChI=1/C6H4ClN3/c7-4-1-2-8-6-5(4)9-3-10-6/h1-3H,(H,8,9,10)
(3)InChIKey: HAWCUEYFSQKISQ-UHFFFAOYAN