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53534-14-8

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Basic Information
CAS No.: 53534-14-8
Name: 1-(3-BROMOPHENYL)-2,5-DIHYDRO-1H-PYRROLE-2,5-DIONE
Article Data: 7
Molecular Structure:
Molecular Structure of 53534-14-8 (1-(3-BROMOPHENYL)-2,5-DIHYDRO-1H-PYRROLE-2,5-DIONE)
Formula: C10H6BrNO2
Molecular Weight: 252.067
Synonyms: 1-(3-Bromophenyl)azoline-2,5-dione;N-(2-Bromophenyl)maleimide;
Density: 1.721 g/cm3
Melting Point: 114-116 °C
Boiling Point: 368 °C at 760 mmHg
Flash Point: 176.4 °C
Solubility: Slightly soluble in water.
Hazard Symbols: Xi
PSA: 37.38000
LogP: 1.94350
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Specification

The 1H-Pyrrole-2,5-dione,1-(3-bromophenyl)-, with the CAS registry number 53534-14-8, is also known as 1-(3-Bromophenyl)azoline-2,5-dione and N-(2-Bromophenyl)maleimide. This chemical's molecular formula is C10H6BrNO2 and molecular weight is 252.0641. What's more, its systematic name is called 1-(3-Bromophenyl)-1H-pyrrole-2,5-dione.

Physical properties about 1H-Pyrrole-2,5-dione,1-(3-bromophenyl)- are: (1)ACD/LogP: 1.86; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 37.38Å2; (7)Index of Refraction: 1.659; (8)Molar Refractivity: 54.01 cm3; (9)Molar Volume: 146.4 cm3; (10)Surface Tension: 61.2 dyne/cm; (11)Density: 1.721 g/cm3; (12)Flash Point: 176.4 °C; (13)Enthalpy of Vaporization: 61.46 kJ/mol; (14)Boiling Point: 368 °C at 760 mmHg; (15)Vapour Pressure: 1.31E-05 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: Brc1cccc(c1)N2C(=O)\C=C/C2=O
(2) InChI: InChI=1/C10H6BrNO2/c11-7-2-1-3-8(6-7)12-9(13)4-5-10(12)14/h1-6H
(3) InChIKey: KJJYDECLTBAKCK-UHFFFAOYAV