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957035-27-7

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Basic Information
CAS No.: 957035-27-7
Name: 4-Chloro-6-(4-iodo-1H-pyrazol-1-yl)pyrimidine
Molecular Structure:
Molecular Structure of 957035-27-7 (4-Chloro-6-(4-iodo-1H-pyrazol-1-yl)pyrimidine)
Formula: C7H4ClIN4
Molecular Weight: 306.4909
Synonyms: 4-Chloro-6-(4-iodo-1H-pyrazol-1-yl)pyrimidine;
Density: 2.18 g/cm3
Boiling Point: 402.6 °C at 760 mmHg
Flash Point: 197.3 °C
PSA: 43.60000
LogP: 1.92030
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Specification

The Pyrimidine, 4-chloro-6-(4-iodo-1H-pyrazol-1-yl)-, with the CAS registry number 957035-27-7, is also known as 4-Chloro-6-(4-iodo-1H-pyrazol-1-yl)pyrimidine. It belongs to the product categories of Blocks; Bromides; Imidazoles; Iodides; Pyridines. This chemical's molecular formula is C7H4ClIN4 and molecular weight is 306.4909. What's more, its systematic name is called 4-Chloro-6-(4-iodopyrazol-1-yl)pyrimidine.

Physical properties about this chemical are: (1)ACD/LogP: 2.40; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.4; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 1; (8)Polar Surface Area: 43.6 Å2; (9)Index of Refraction: 1.803; (10)Molar Refractivity: 60.07 cm3; (11)Molar Volume: 140 cm3; (12)Polarizability: 23.81×10-24 cm3; (13)Surface Tension: 66.5 dyne/cm; (14)Density: 2.18 g/cm3; (15)Flash Point: 197.3 °C; (16)Enthalpy of Vaporization: 62.83 kJ/mol; (17)Boiling Point: 402.6 °C at 760 mmHg; (18)Vapour Pressure: 2.52E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1c(ncnc1Cl)n2cc(cn2)I
(2) InChI: InChI=1/C7H4ClIN4/c8-6-1-7(11-4-10-6)13-3-5(9)2-12-13/h1-4H
(3) InChIKey: SJJALIFOBUEFSW-UHFFFAOYAT