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CAS No.: | 20307-43-1 |
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Name: | 2-(4-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H7ClO2 |
Molecular Weight: | 218.639 |
Synonyms: | 2-(4-Chloro-phenyl)-[1,4]benzoquinone; 2-(4-Chlorophenyl)-1,4-benzoquinone; 2,5-Cyclohexadiene-1,4-dione, 2-(4-chlorophenyl)- |
Density: | 1.365 g/cm3 |
Boiling Point: | 360 °C at 760 mmHg |
Flash Point: | 152.1 °C |
PSA: | 34.14000 |
LogP: | 2.43140 |
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This chemical is called 2-(4-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione, and it's also named as 2,5-Cyclohexadiene-1,4-dione, 2-(4-chlorophenyl)-. With the molecular formula of C12H7ClO2, its molecular weight is 218.64. The CAS registry number of this chemical is 20307-43-1.
Other characteristics of the 2-(4-Chlorophenyl)cyclohexa-2,5-diene-1,4-dione can be summarised as followings: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 34.14 Å2; (7)Index of Refraction: 1.622; (8)Molar Refractivity: 56.47 cm3; (9)Molar Volume: 160.1 cm3; (10)Polarizability: 22.38×10-24cm3; (11)Surface Tension: 53.6 dyne/cm; (12)Density: 1.365 g/cm3; (13)Flash Point: 152.1 °C; (14)Enthalpy of Vaporization: 60.57 kJ/mol; (15)Boiling Point: 360 °C at 760 mmHg; (16)Vapour Pressure: 2.28E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
1.SMILES: O=C2/C=C\C(=O)\C=C2\c1ccc(Cl)cc1
2.InChI: InChI=1/C12H7ClO2/c13-9-3-1-8(2-4-9)11-7-10(14)5-6-12(11)15/h1-7H
3.InChIKey: ZYZNNQZZYJAPLH-UHFFFAOYAD