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7160-22-7

Basic Information
CAS No.: 7160-22-7
Name: 3',4'-DICHLOROPIVALANILIDE
Article Data: 12
Molecular Structure:
Molecular Structure of 7160-22-7 (3',4'-DICHLOROPIVALANILIDE)
Formula: C11H13Cl2NO
Molecular Weight: 246.136
Synonyms: 3',4'-Dichloropivalanilide;N-(3,4-Dichlorophenyl)-2,2-dimethylpropanamide;
Density: 1.255 g/cm3
Boiling Point: 377.1 °C at 760 mmHg
Flash Point: 181.9 °C
PSA: 29.10000
LogP: 4.05100
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Specification

The Propanamide,N-(3,4-dichlorophenyl)-2,2-dimethyl-, with the CAS registry number 7160-22-7, is also known as 3',4'-Dichloropivalanilide. This chemical's molecular formula is C11H13Cl2NO and molecular weight is 246.13. What's more, its IUPAC name is N-(3,4-dichlorophenyl)-2,2-dimethylpropanamide.

Physical properties of Propanamide,N-(3,4-dichlorophenyl)-2,2-dimethyl- are: (1)ACD/LogP: 3.88; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.88; (4)ACD/LogD (pH 7.4): 3.88; (5)ACD/BCF (pH 5.5): 519.85; (6)ACD/BCF (pH 7.4): 519.85; (7)ACD/KOC (pH 5.5): 3059.34; (8)ACD/KOC (pH 7.4): 3059.34; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 20.31 Å2; (13)Index of Refraction: 1.568; (14)Molar Refractivity: 64.17 cm3; (15)Molar Volume: 195.9 cm3; (16)Polarizability: 25.44×10-24cm3; (17)Surface Tension: 41.4 dyne/cm; (18)Density: 1.255 g/cm3; (19)Flash Point: 181.9 °C; (20)Enthalpy of Vaporization: 62.48 kJ/mol; (21)Boiling Point: 377.1 °C at 760 mmHg; (22)Vapour Pressure: 6.9E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(NC(=O)C(C)(C)C)cc1Cl
(2)Std. InChI: InChI=1S/C11H13Cl2NO/c1-11(2,3)10(15)14-7-4-5-8(12)9(13)6-7/h4-6H,1-3H3,(H,14,15)
(3)Std. InChIKey: WMFDYXPRRHDSQS-UHFFFAOYSA-N