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853903-09-0

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Basic Information
CAS No.: 853903-09-0
Name: 1-(2,4-dichlorophenylsulfonyl)-1H-imidazole
Molecular Structure:
Molecular Structure of 853903-09-0 (1-(2,4-dichlorophenylsulfonyl)-1H-imidazole)
Formula: C9H6Cl2N2O2S
Molecular Weight: 275.95
Synonyms: 1H-Imidazole, 1-[(2,4-dichlorophenyl)sulfonyl]-;2,4-Dichloro-1-(imidazolylsulfonyl)benzene;
Density: 1.58 g/cm3
Boiling Point: 456.8 °C at 760 mmHg
Flash Point: 230.1 °C
PSA: 60.34000
LogP: 3.50770
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    1-[(2,4-Dichlorophenyl)sulfonyl]-1H-imidazole

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Specification

This product is an organic compound with the formula C9H6Cl2N2O2S. The systematic name of this chemical is 1-[(2,4-dichlorophenyl)sulfonyl]-1H-imidazole. With the CAS registry number 853903-09-0, it is also named as 1H-Imidazole, 1-[(2,4-dichlorophenyl)sulfonyl]-. In addition, the molecular weight is 275.95.

Physical properties of 1-[(2,4-Dichlorophenyl)sulfonyl]-1H-imidazole are: (1)ACD/LogP: 2.16; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 2; (6)Polar Surface Area: 60.34 Å2; (7)Index of Refraction: 1.664; (8)Molar Refractivity: 64.88 cm3; (9)Molar Volume: 174.9 cm3; (10)Polarizability: 25.72×10-24cm3; (11)Surface Tension: 59 dyne/cm; (12)Density: 1.58 g/cm3; (13)Flash Point: 230.1 °C; (14)Enthalpy of Vaporization: 71.68 kJ/mol; (15)Boiling Point: 456.8 °C at 760 mmHg; (16)Vapour Pressure: 1.57E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=S(=O)(c1ccc(Cl)cc1Cl)n2ccnc2
(2)InChI: InChI=1S/C9H6Cl2N2O2S/c10-7-1-2-9(8(11)5-7)16(14,15)13-4-3-12-6-13/h1-6H
(3)InChIKey: XBDFBMZLMXINKV-UHFFFAOYSA-N