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6-Chloro-o-acetacetotoluidide

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Name

6-Chloro-o-acetacetotoluidide

EINECS N/A
CAS No. 91089-62-2 Density 1.247 g/cm3
PSA 46.17000 LogP 2.63900
Solubility N/A Melting Point N/A
Formula C11H12ClNO2 Boiling Point 382.6 °C at 760 mmHg
Molecular Weight 225.67 Flash Point 185.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 91089-62-2 (6-Chloro-o-acetacetotoluidide) Hazard Symbols N/A
Synonyms

o-Acetoacetotoluidide,6'-chloro- (7CI);

 

6-Chloro-o-acetacetotoluidide Specification

This chemical is called 6-Chloro-o-acetacetotoluidide, and its IUPAC name is N-(2-chloro-6-methylphenyl)-3-oxobutanamide. With the molecular formula of C11H12ClNO2, its molecular weight is 225.67. The CAS registry number of this chemical is 91089-62-2.

Other characteristics of the 6-Chloro-o-acetacetotoluidide can be summarised as followings: (1)ACD/LogP: 1.51; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.51; (4)ACD/LogD (pH 7.4): 1.5; (5)ACD/BCF (pH 5.5): 8.21; (6)ACD/BCF (pH 7.4): 8.11; (7)ACD/KOC (pH 5.5): 157.09; (8)ACD/KOC (pH 7.4): 155.15; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.17 Å2; (13)Index of Refraction: 1.572; (14)Molar Refractivity: 59.54 cm3; (15)Molar Volume: 180.8 cm3; (16)Polarizability: 23.6×10-24cm3; (17)Surface Tension: 45.2 dyne/cm; (18)Density: 1.247 g/cm3; (19)Flash Point: 185.2 °C; (20)Enthalpy of Vaporization: 63.1 kJ/mol; (21)Boiling Point: 382.6 °C at 760 mmHg; (22)Vapour Pressure: 4.68E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc1cccc(C)c1NC(=O)CC(C)=O
2.InChI: InChI=1/C11H12ClNO2/c1-7-4-3-5-9(12)11(7)13-10(15)6-8(2)14/h3-5H,6H2,1-2H3,(H,13,15)
3.InChIKey: NRVXULLHSFITHB-UHFFFAOYAS

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