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868948-12-3

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Basic Information
CAS No.: 868948-12-3
Name: Butanamide, N-(6-chloro-3-pyridazinyl)-
Molecular Structure:
Molecular Structure of 868948-12-3 (Butanamide, N-(6-chloro-3-pyridazinyl)-)
Formula: C8H10ClN3O
Molecular Weight: 199.64
Synonyms: Butanamide, N-(6-chloro-3-pyridazinyl)-;
Density: 1.296 g/cm3
Boiling Point: 452.1 °C at 760 mmHg
Flash Point: 227.2 °C
PSA: 54.88000
LogP: 1.94160
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Specification

This chemical is called N-(6-Chloro-3-pyridazinyl)butanamide, and its systematic name is Butanamide, N-(6-chloro-3-pyridazinyl)-. With the molecular formula of C8H10ClN3O, its molecular weight is 199.64. The CAS registry number of this chemical is 868948-12-3.

Other characteristics of the N-(6-Chloro-3-pyridazinyl)butanamide can be summarised as followings: (1)ACD/LogP: 0.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.4; (4)ACD/LogD (pH 7.4): 0.4 ; (5)#H bond acceptors: 4; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 2; (8)Polar Surface Area: 54.88 Å2; (9)Index of Refraction: 1.575; (10)Molar Refractivity: 50.86 cm3; (11)Molar Volume: 153.9 cm3; (12)Polarizability: 20.16×10-24cm3; (13)Surface Tension: 52.7 dyne/cm; (14)Density: 1.296 g/cm3; (15)Flash Point: 227.2 °C; (16)Enthalpy of Vaporization: 71.13 kJ/mol; (17)Boiling Point: 452.1 °C at 760 mmHg; (18)Vapour Pressure: 2.3E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(Nc1ccc(Cl)nn1)CCC
2.InChI: InChI=1/C8H10ClN3O/c1-2-3-8(13)10-7-5-4-6(9)11-12-7/h4-5H,2-3H2,1H3,(H,10,12,13)
3.InChIKey: QFWIACUARPGOFV-UHFFFAOYAM
4.Std. InChI: InChI=1S/C8H10ClN3O/c1-2-3-8(13)10-7-5-4-6(9)11-12-7/h4-5H,2-3H2,1H3,(H,10,12,13)
5.Std. InChIKey: QFWIACUARPGOFV-UHFFFAOYSA-N