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303149-95-3

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Basic Information
CAS No.: 303149-95-3
Name: 1-(6-CHLORO-3-PYRIDAZINYL)TETRAHYDRO-4(1H)-PYRIDINONE
Molecular Structure:
Molecular Structure of 303149-95-3 (1-(6-CHLORO-3-PYRIDAZINYL)TETRAHYDRO-4(1H)-PYRIDINONE)
Formula: C9H10ClN3O
Molecular Weight: 211.65
Synonyms: 1-(6-Chloro-3-pyridazinyl)tetrahydro-4(1H)-pyridinone;
Density: 1.351 g/cm3
Boiling Point: 456.9 °C at 760 mmHg
Flash Point: 230.1 °C
PSA: 46.09000
LogP: 1.36430
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Specification

The 1-(6-Chloro-pyridazin-3-yl)-piperidin-4-one, with the CAS registry number 303149-95-3, is also known as 1-(6-Chloro-3-pyridazinyl)tetrahydro-4(1H)-pyridinone. This chemical's molecular formula is C9H10ClN3O and molecular weight is 211.65. What's more, its IUPAC name is 1-(6-Chloropyridazin-3-yl)piperidin-4-one.

Physical properties about 1-(6-Chloro-pyridazin-3-yl)-piperidin-4-one are: (1)ACD/LogP: -0.07; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.11; (4)ACD/LogD (pH 7.4): -0.07; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 19.93; (8)ACD/KOC (pH 7.4): 21.76; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 46.09 Å2; (13)Index of Refraction: 1.582; (14)Molar Refractivity: 52.27 cm3; (15)Molar Volume: 156.5 cm3; (16)Polarizability: 20.72×10-24 cm3; (17)Surface Tension: 59.1 dyne/cm; (18)Density: 1.351 g/cm3; (19)Flash Point: 230.1 °C; (20)Enthalpy of Vaporization: 71.69 kJ/mol; (21)Boiling Point: 456.9 °C at 760 mmHg; (22)Vapour Pressure: 1.56E-08 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Clc1nnc(cc1)N2CCC(=O)CC2
(2) InChI: InChI=1/C9H10ClN3O/c10-8-1-2-9(12-11-8)13-5-3-7(14)4-6-13/h1-2H,3-6H2
(3) InChIKey: ZKVKANRUWLPPNA-UHFFFAOYAZ