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CAS No.: | 7160-22-7 |
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Name: | 3',4'-DICHLOROPIVALANILIDE |
Article Data: | 12 |
Molecular Structure: | |
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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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