CAS No.45882-63-1,3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine Suppliers

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Basic Information

Molecular Structure:
CAS No.:	45882-63-1
Name:	3-chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine
Article Data:	3

Formula:	C₇H₈ClN₃
Molecular Weight:	169.614
Synonyms:	3-Chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine hydrochloride;3-Chloro-5,6,7,8-tetrahydropyrido[4,3-C]pyridazine;
Density:	1.297 g/cm³
Boiling Point:	368.3 °C at 760 mmHg
Flash Point:	176.5 °C
PSA:	37.81000
LogP:	1.10450

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Specification

The Pyrido[4,3-c]pyridazine,3-chloro-5,6,7,8-tetrahydro-, with the CAS registry number 45882-63-1, belongs to the product category of Chiral chemicals. The molecular formula of this chemical is C₇H₈ClN₃ and molecular weight is 169.6115. What's more, its systematic name is 3-Chloro-5,6,7,8-tetrahydropyrido[4,3-c]pyridazine.

Physical properties about Pyrido[4,3-C]pyridazine,3-chloro-5,6,7,8-tetrahydro- are: (1)#of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1.39; (5)ACD/KOC (pH 7.4): 9.07; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 0; (9)Polar Surface Area: 37.81 Å²; (10)Index of Refraction: 1.569; (11)Molar Refractivity: 42.85 cm³; (12)Molar Volume: 130.6 cm³; (13)Polarizability: 16.98×10^-24cm³; (14)Surface Tension: 51.7 dyne/cm; (15)Density: 1.297 g/cm³; (16)Flash Point: 176.5 °C; (17)Enthalpy of Vaporization: 61.49 kJ/mol; (18)Boiling Point: 368.3 °C at 760 mmHg; (19)Vapour Pressure: 1.29E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1cc2CNCCc2nn1
(2) InChI: InChI=1/C7H8ClN3/c8-7-3-5-4-9-2-1-6(5)10-11-7/h3,9H,1-2,4H2
(3) InChIKey: ALJUPDQYZZRFSN-UHFFFAOYAW