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288252-75-5

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Basic Information
CAS No.: 288252-75-5
Name: Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate
Molecular Structure:
Molecular Structure of 288252-75-5 (Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate)
Formula: C12H10ClFN2O2
Molecular Weight: 268.675
Synonyms: 5-Chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester;
Density: 1.347 g/cm3
Boiling Point: 357.975 °C at 760 mmHg
Flash Point: 170.297 °C
PSA: 44.12000
LogP: 2.84150
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Specification

The CAS register number of Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate is 288252-75-5. It also can be called as 5-Chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylic acid ethyl ester. The molecular formula about this chemical is C12H10ClFN2O2 and the molecular weight is 268.6714032.

Physical properties about Ethyl 5-chloro-1-(4-fluorophenyl)-1H-pyrazole-4-carboxylate are: (1)ACD/LogP: 2.78; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 105; (5)ACD/BCF (pH 7.4): 105; (6)ACD/KOC (pH 5.5): 973; (7)ACD/KOC (pH 7.4): 973; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 4; (10)Polar Surface Area: 44.12 Å2; (11)Index of Refraction: 1.579; (12)Molar Refractivity: 66.286 cm3; (13)Molar Volume: 199.431 cm3; (14)Polarizability: 26.278x10-24cm3; (15)Surface Tension: 42.199 dyne/cm; (16)Density: 1.347 g/cm3; (17)Flash Point: 170.297 °C; (18)Enthalpy of Vaporization: 60.341 kJ/mol; (19)Boiling Point: 357.975 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)c2cnn(c1ccc(F)cc1)c2Cl
(2)InChI: InChI=1/C12H10ClFN2O2/c1-2-18-12(17)10-7-15-16(11(10)13)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
(3)InChIKey: LZIXVIYLNWXTHN-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C12H10ClFN2O2/c1-2-18-12(17)10-7-15-16(11(10)13)9-5-3-8(14)4-6-9/h3-7H,2H2,1H3
(5)Std. InChIKey: LZIXVIYLNWXTHN-UHFFFAOYSA-N