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93506-80-0

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Basic Information
CAS No.: 93506-80-0
Name: 2-CHLORO-4,6-DIMETHYL ACETANILIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 93506-80-0 (2-CHLORO-4,6-DIMETHYL ACETANILIDE)
Formula: C10H12ClNO
Molecular Weight: 197.664
Synonyms: 2',4'-Acetoxylidide,6'-chloro- (7CI);2'-Chloro-4',6'-dimethylacetanilide;
Density: 1.183 g/cm3
Melting Point: 201-202 °C
Boiling Point: 324.735 °C at 760 mmHg
Flash Point: 150.195 °C
PSA: 29.10000
LogP: 2.98820
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Specification

The CAS register number of 2'-Chloro-4',6'-dimethylacetanilide is 93506-80-0. It also can be called as Acetamide, N-(2-chloro-4,6-dimethylphenyl)- and the systematic name about this chemical is N-(2-chloro-4,6-dimethylphenyl)acetamide.

Physical properties about 2'-Chloro-4',6'-dimethylacetanilide are: (1)ACD/LogP:  1.74; (2)# of Rule of 5 Violations:  0; (3)ACD/LogD (pH 5.5):  2; (4)ACD/LogD (pH 7.4):  2; (5)ACD/BCF (pH 5.5):  28; (6)ACD/BCF (pH 7.4):  28; (7)ACD/KOC (pH 5.5):  375; (8)ACD/KOC (pH 7.4):  375; (9)#H bond acceptors:  2; (10)#H bond donors:  1; (11)#Freely Rotating Bonds:  1; (12)Polar Surface Area:  29.1Å2; (13)Index of Refraction:  1.573; (14)Molar Refractivity:  55.07 cm3; (15)Molar Volume:  167.017 cm3; (16)Surface Tension:  40.823 dyne/cm; (17)Density:  1.183 g/cm3; (18)Flash Point:  150.195 °C; (19)Enthalpy of Vaporization:  56.679 kJ/mol; (20)Boiling Point:  324.735 °C at 760 mmHg; (21)Vapour Pressure:  0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1.SMILES: Clc1cc(C)cc(C)c1NC(C)=O
2.InChI: InChI=1/C10H12ClNO/c1-6-4-7(2)10(9(11)5-6)12-8(3)13/h4-5H,1-3H3,(H,12,13) 
3.InChIKey: RDPQJNWJMMXTKB-UHFFFAOYAO
4.Std. InChI: InChI=1S/C10H12ClNO/c1-6-4-7(2)10(9(11)5-6)12-8(3)13/h4-5H,1-3H3,(H,12,13)