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52943-22-3

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Basic Information
CAS No.: 52943-22-3
Name: 2-Chloro-N-ethyl-nicotinamide
Molecular Structure:
Molecular Structure of 52943-22-3 (2-Chloro-N-ethyl-nicotinamide)
Formula: C8H9ClN2O
Molecular Weight: 184.62
Synonyms: 2-Chloro-N-ethyl-nicotinamide;Albb-003570;2-chloro-N-ethylnicotinamide(SALTDATA: FREE)
Density: 1.219 g/cm3
Boiling Point: 340.736 °C at 760 mmHg
Flash Point: 159.872 °C
PSA: 41.99000
LogP: 1.87560
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Specification

This chemical is called 2-Chloro-N-ethyl-nicotinamide, and it can also be named as 3-pyridinecarboxamide, 2-chloro-N-ethyl-. With the molecular formula of C8H9ClN2O, its molecular weight is 184.62. The CAS registry number of this chemical is 52943-22-3.

Other characteristics of the 2-Chloro-N-ethyl-nicotinamide can be summarised as followings: (1)ACD/LogP: 0.77; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 2; (6)ACD/BCF (pH 7.4): 2; (7)ACD/KOC (pH 5.5): 63; (8)ACD/KOC (pH 7.4): 63; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)Polar Surface Area: 41.99 Å2; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 47.495 cm3; (14)Molar Volume: 151.461 cm3; (15)Polarizability: 18.828×10-24cm3; (16)Surface Tension: 44.057 dyne/cm; (17)Density: 1.219 g/cm3; (18)Flash Point: 159.872 °C; (19)Enthalpy of Vaporization: 58.432 kJ/mol; (20)Boiling Point: 340.736 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: O=C(c1cccnc1Cl)NCC
2.InChI: InChI=1/C8H9ClN2O/c1-2-10-8(12)6-4-3-5-11-7(6)9/h3-5H,2H2,1H3,(H,10,12)
3.InChIKey: LAGOHZCKMJZGIY-UHFFFAOYAQ