The 3-Pyridazinecarboxaldehyde,6-chloro-, with the CAS registry number 303085-53-2, has the systematic name of 6-chloropyridazine-3-carbaldehyde. It belongs to the following product categories: Halide; Aldehyde; Building Blocks; Pyridazine. And the molecular formula of the chemical is C5H3ClN2O.
The characteristics of 3-Pyridazinecarboxaldehyde,6-chloro- are as followings: (1)ACD/LogP: 0.00; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 13; (6)ACD/KOC (pH 7.4): 13; (7)#H bond acceptors: 3; (8)#H bond donors: 0; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 42.85 Å2; (11)Index of Refraction: 1.601; (12)Molar Refractivity: 34.083 cm3; (13)Molar Volume: 99.498 cm3; (14)Polarizability: 13.512×10-24cm3; (15)Surface Tension: 59.636 dyne/cm; (16)Density: 1.433 g/cm3; (17)Flash Point: 156.174 °C; (18)Enthalpy of Vaporization: 57.76 kJ/mol; (19)Boiling Point: 334.621 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Clc1ccc(C=O)nn1
(2)InChI: InChI=1/C5H3ClN2O/c6-5-2-1-4(3-9)7-8-5/h1-3H
(3)InChIKey: YDHRPQYMQCOQQT-UHFFFAOYAI
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