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92026-64-7

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Basic Information
CAS No.: 92026-64-7
Name: 2-CHLORO-N-(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)ACETAMIDE
Molecular Structure:
Molecular Structure of 92026-64-7 (2-CHLORO-N-(3,5-DIMETHYL-1-PHENYL-1H-PYRAZOL-4-YL)ACETAMIDE)
Formula: C13H14ClN3O
Molecular Weight: 263.727
Synonyms: Pyrazole,4-(2-chloroacetamido)-3,5-dimethyl-1-phenyl- (7CI);2-chloro-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetamide;2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide;
Density: 1.25 g/cm3
Boiling Point: 422.1 °C at 760 mmHg
Flash Point: 209.1 °C
PSA: 50.41000
LogP: 3.31590
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    The Acetamide,2-chloro-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-, with the CAS registry number 92026-64-7, has the systematic name of 2-chloro-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetamide. It is also called 2-chloro-N-(3,5-dimethyl-1-phenylp

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Specification

The Acetamide,2-chloro-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)-, with the CAS registry number 92026-64-7, has the systematic name of 2-chloro-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)acetamide. It is also called 2-chloro-N-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide. And the molecular formula of the chemical is C13H14ClN3O.

The characteristics of Acetamide,2-chloro-N-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)- are as followings: (1)ACD/LogP: 2.45; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.88; (4)ACD/LogD (pH 7.4): 2.89; (5)ACD/BCF (pH 5.5): 91.28; (6)ACD/BCF (pH 7.4): 91.81; (7)ACD/KOC (pH 5.5): 879.27; (8)ACD/KOC (pH 7.4): 884.4; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.13 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 72.5 cm3; (15)Molar Volume: 209.9 cm3; (16)Polarizability: 28.74×10-24cm3; (17)Surface Tension: 43.6 dyne/cm; (18)Density: 1.25 g/cm3; (19)Flash Point: 209.1 °C; (20)Enthalpy of Vaporization: 67.62 kJ/mol; (21)Boiling Point: 422.1 °C at 760 mmHg; (22)Vapour Pressure: 2.47E-07 mmHg at 25°C. 

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClCC(=O)Nc2c(nn(c1ccccc1)c2C)C
(2)InChI: InChI=1/C13H14ClN3O/c1-9-13(15-12(18)8-14)10(2)17(16-9)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H,15,18)
(3)InChIKey: NZZOTUMBWBHBJT-UHFFFAOYAT