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868948-13-4

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Basic Information
CAS No.: 868948-13-4
Name: Pentanamide, N-(6-chloro-3-pyridazinyl)-
Molecular Structure:
Molecular Structure of 868948-13-4 (Pentanamide, N-(6-chloro-3-pyridazinyl)-)
Formula: C9H12ClN3O
Molecular Weight: 213.66408
Synonyms: N-(6-Chloro-3-pyridazinyl)pentanamide;
Density: 1.253 g/cm3
Boiling Point: 454 °C at 760 mmHg
Flash Point: 228.4 °C
PSA: 54.88000
LogP: 2.33170
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Specification

The CAS register number of N-(6-Chloro-3-pyridazinyl)pentanamide is 868948-13-4. The systematic name about this chemical is Pentanamide, N-(6-chloro-3-pyridazinyl)-. The molecular formula about this chemical is C9H12ClN3O and the molecular weight is 213.66.

Physical properties about N-(6-Chloro-3-pyridazinyl)pentanamide are: (1)ACD/LogP: 0.93; (2)ACD/LogD (pH 5.5): 0.93; (3)ACD/LogD (pH 7.4): 0.93; (4)#H bond acceptors: 4; (5)#H bond donors: 1; (6)#Freely Rotating Bonds: 3; (7)Polar Surface Area: 54.88Å2; (8)Index of Refraction: 1.564; (9)Molar Refractivity: 55.5 cm3; (10)Molar Volume: 170.4 cm3; (11)Polarizability: 22x10-24cm3; (12)Surface Tension: 50.5 dyne/cm; (13)Enthalpy of Vaporization: 71.35 kJ/mol; (14)Boiling Point: 454 °C at 760 mmHg; (15)Vapour Pressure: 1.97E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1ccc(Cl)nn1)CCCC
(2)InChI: InChI=1/C9H12ClN3O/c1-2-3-4-9(14)11-8-6-5-7(10)12-13-8/h5-6H,2-4H2,1H3,(H,11,13,14)
(3)InChIKey: BEDMRCPOABMFRW-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C9H12ClN3O/c1-2-3-4-9(14)11-8-6-5-7(10)12-13-8/h5-6H,2-4H2,1H3,(H,11,13,14)
(5)Std. InChIKey: BEDMRCPOABMFRW-UHFFFAOYSA-N