The 2,3-Dibromo-5-benzoylpyrrole is an organic compound with the formula C11H7Br2NO. The systematic name of this product is (4,5-dibromo-1H-pyrrol-2-yl)(phenyl)methanone. With the CAS registry number 50372-61-7, it is also named as methanone, (4,5-dibromo-1H-pyrrol-2-yl)phenyl-. The price of this product changes with the market.
The other characteristics of this product can be summarized as: (1)ACD/LogP: 4.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 281; (6)ACD/BCF (pH 7.4): 281; (7)ACD/KOC (pH 5.5): 1968; (8)ACD/KOC (pH 7.4): 1968; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.661; (13)Molar Refractivity: 65.859 cm3; (14)Molar Volume: 178.24 cm3; (15)Polarizability: 26.109×10-24 cm3; (16)Surface Tension: 55.962 dyne/cm; (17)Enthalpy of Vaporization: 68.651 kJ/mol; (18)Vapour Pressure: 0 mmHg at 25°C.
People can use the following data to convert to the molecule structure.
1. SMILES: O=C(c1cc(Br)c(Br)n1)c2ccccc2;
2. InChI: InChI=1/C11H7Br2NO/c12-8-6-9(14-11(8)13)10(15)7-4-2-1-3-5-7/h1-6,14H.
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