The 1H-Pyrrole-1,2-dicarboxylicacid, 5-bromo-, 1-(1,1-dimethylethyl) ester, with the CAS registry number 117657-41-7, is also known as 1-(tert-butoxycarbonyl)-5-bromo-1H-pyrrole-2-carboxylic acid. It belongs to the product category of Classes of API intermediates. This chemical's molecular formula is C₁₀H₁₂BrNO₄ and molecular weight is 290.11. What's more, its systematic name is 5-bromo-1-tert-butoxycarbonyl-pyrrole-2-carboxylic acid.

Physical properties of 1H-Pyrrole-1,2-dicarboxylicacid, 5-bromo-, 1-(1,1-dimethylethyl) ester are: (1)ACD/LogP: 3.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.688; (4)ACD/LogD (pH 7.4): 0.373; (5)ACD/BCF (pH 5.5): 4.401; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 32.899; (8)ACD/KOC (pH 7.4): 1.592; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 68.53 Å²; (13)Index of Refraction: 1.562; (14)Molar Refractivity: 61.515 cm³; (15)Molar Volume: 189.57 cm³; (16)Polarizability: 24.386×10^-24 cm³; (17)Surface Tension: 45.303 dyne/cm; (18)Density: 1.53 g/cm³; (19)Flash Point: 192.777 °C; (20)Enthalpy of Vaporization: 68.052 kJ/mol; (21)Boiling Point: 395.145 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)(C)OC(=O)n1c(ccc1Br)C(=O)O
(2)InChI: InChI=1/C₁₀H₁₂BrNO₄/c1-10(2,3)16-9(15)12-6(8(13)14)4-5-7(12)11/h4-5H,1-3H3,(H,13,14)
(3)InChIKey: HSYPLGOVUSKXRC-UHFFFAOYAT