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110821-36-8

Basic Information
CAS No.: 110821-36-8
Name: Ethyl 5-chloro-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate
Molecular Structure:
Molecular Structure of 110821-36-8 (Ethyl 5-chloro-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate)
Formula: C12H10Cl2N2O2
Molecular Weight: 285.126
Synonyms: LogP
Density: 1.385 g/cm3
Melting Point: 81-83℃
Boiling Point: 386.481 °C at 760 mmHg
Flash Point: 187.537 °C
PSA: 44.12000
LogP: 3.35580
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Specification

This chemical is called Ethyl 5-chloro-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate. With the molecular formula of C12H10Cl2N2O2, its molecular weight is 285.126. The CAS registry number of this chemical is 110821-36-8.

Other characteristics of the Ethyl 5-chloro-1-(4-chlorophenyl)-1H-pyrazole-4-carboxylate can be summarised as followings: (1)ACD/LogP: 2.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 271; (6)ACD/BCF (pH 7.4): 271; (7)ACD/KOC (pH 5.5): 1921; (8)ACD/KOC (pH 7.4): 1921; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 44.12 Å2; (13)Index of Refraction: 1.606; (14)Molar Refractivity: 71.016 cm3; (15)Molar Volume: 205.84 cm3; (16)Polarizability: 28.153×10-24cm3; (17)Surface Tension: 46.311 dyne/cm; (18)Density: 1.385 g/cm3; (19)Flash Point: 187.537 °C; (20)Enthalpy of Vaporization: 63.542 kJ/mol; (21)Boiling Point: 386.481 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: CCOC(=O)c2cnn(c1ccc(Cl)cc1)c2Cl
2.InChI: InChI=1/C12H10Cl2N2O2/c1-2-18-12(17)10-7-15-16(11(10)14)9-5-3-8(13)4-6-9/h3-7H,2H2,1H3
3.InChIKey: PBAYDSHSLUGDDO-UHFFFAOYAI