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40645-89-4

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Basic Information
CAS No.: 40645-89-4
Name: 3-Chloro-N-(3-chloro-1-oxopropyl)propanamide
Molecular Structure:
Molecular Structure of 40645-89-4 (3-Chloro-N-(3-chloro-1-oxopropyl)propanamide)
Formula: C6H9Cl2NO2
Molecular Weight: 198.049
Synonyms: 3-Chloro-N-(3-chloro-1-oxopropyl)propanamide
Density: 1.291 g/cm3
Melting Point: 142 °C(Solv: methanol (67-56-1))
Boiling Point: 327.9 °C at 760 mmHg
Flash Point: 152.1 °C
PSA: 49.66000
LogP: 1.72730
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    Propanamide,3-chloro-N-(3-chloro-1-oxopropyl)-

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    Propanamide,3-chloro-N-(3-chloro-1-oxopropyl)-

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Specification

The Propanamide,3-chloro-N-(3-chloro-1-oxopropyl)- is an organic compound with the formula C6H9Cl2NO2. With the CAS registry number 40645-89-4, the IUPAC name of this chemical is 3-chloro-N-(3-chloropropanoyl)propanamide.

Physical properties about Propanamide,3-chloro-N-(3-chloro-1-oxopropyl)- are: (1)ACD/LogP: -0.42; (2)ACD/LogD (pH 5.5): -0.42; (3)ACD/LogD (pH 7.4): -0.42; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 14.14; (7)ACD/KOC (pH 7.4): 14.13; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 37.38 Å2; (12)Index of Refraction: 1.475; (13)Molar Refractivity: 43.19 cm3; (14)Molar Volume: 153.4 cm3; (15)Polarizability: 17.12×10-24cm3; (16)Surface Tension: 40 dyne/cm; (17)Density: 1.291 g/cm3; (18)Flash Point: 152.1 °C; (19)Enthalpy of Vaporization: 57.03 kJ/mol; (20)Boiling Point: 327.9 °C at 760 mmHg; (21)Vapour Pressure: 0.000196 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCC(=O)NC(=O)CCCl
(2)InChI: InChI=1/C6H9Cl2NO2/c7-3-1-5(10)9-6(11)2-4-8/h1-4H2,(H,9,10,11)
(3)InChIKey: AEDGUGLDMPHFDW-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C6H9Cl2NO2/c7-3-1-5(10)9-6(11)2-4-8/h1-4H2,(H,9,10,11)
(5)Std. InChIKey: AEDGUGLDMPHFDW-UHFFFAOYSA-N