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| CAS No.: | 99585-98-5 |
|---|---|
| Name: | 3-chloro-N-(3-chlorophenyl)propanamide |
| Article Data: | 6 |
| Molecular Structure: | |
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| Formula: | C9H9Cl2NO |
| Molecular Weight: | 218.083 |
| Synonyms: | 3-CHLORO-N-(3-CHLOROPHENYL)PROPANAMIDE;3-chloro-N-(3-chlorophenyl)propanamide(SALTDATA: FREE) |
| Density: | 1.343 g/cm3 |
| Boiling Point: | 384.5 °C at 760 mmHg |
| Flash Point: | 186.3 °C |
| PSA: | 29.10000 |
| LogP: | 2.98040 |
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Specification
The 3-Chloro-N-(3-chlorophenyl)propanamide is an organic compound with the formula C9H9Cl2NO. The systematic name of this chemical is 3-chloro-N-(3-chlorophenyl)propanamide. With the CAS registry number 99585-98-5, it is also named as propanamide, 3-chloro-N-(3-chlorophenyl)-.
Physical properties about 3-Chloro-N-(3-chlorophenyl)propanamide are: (1)ACD/LogP: 2.40; (2)ACD/LogD (pH 5.5): 2.4; (3)ACD/LogD (pH 7.4): 2.4; (4)ACD/BCF (pH 5.5): 39.56; (5)ACD/BCF (pH 7.4): 39.56; (6)ACD/KOC (pH 5.5): 484.08; (7)ACD/KOC (pH 7.4): 484.08; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 20.31 Å2; (12)Index of Refraction: 1.591; (13)Molar Refractivity: 54.9 cm3; (14)Molar Volume: 162.3 cm3; (15)Polarizability: 21.76×10-24cm3; (16)Surface Tension: 47 dyne/cm; (17)Density: 1.343 g/cm3; (18)Flash Point: 186.3 °C; (19)Enthalpy of Vaporization: 63.32 kJ/mol; (20)Boiling Point: 384.5 °C at 760 mmHg; (21)Vapour Pressure: 4.08E-06 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Clc1cc(NC(=O)CCCl)ccc1
(2)InChI: InChI=1/C9H9Cl2NO/c10-5-4-9(13)12-8-3-1-2-7(11)6-8/h1-3,6H,4-5H2,(H,12,13)
(3)InChIKey: PPDCJGYLZPSGAW-UHFFFAOYAI
(4)Std. InChI: InChI=1S/C9H9Cl2NO/c10-5-4-9(13)12-8-3-1-2-7(11)6-8/h1-3,6H,4-5H2,(H,12,13)
(5)Std. InChIKey: PPDCJGYLZPSGAW-UHFFFAOYSA-N