4-(4-FLUOROBENZOYL)-1-METHYL-1H-PYRROLE-2-CARBALDEHYDE

The 1H-Pyrrole-2-carboxaldehyde,4-(4-fluorobenzoyl)-1-methyl-, with the CAS registry number of 128843-61-8, is also known as Carbaldehyde. Its molecular formula is C₁₃H₁₀FNO₂ and molecular weight is 231.22. What's more, its IUPAC name is 4-(4-Fluorobenzoyl)-1-methylpyrrole-2-carbaldehyde.

Physical properties about the 1H-Pyrrole-2-carboxaldehyde,4-(4-fluorobenzoyl)-1-methyl- are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.09; (5)ACD/BCF (pH 5.5): 22.99; (6)ACD/BCF (pH 7.4): 22.99; (7)ACD/KOC (pH 5.5): 328.24; (8)ACD/KOC (pH 7.4): 328.24; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)Polar Surface Area: 39.07 Å²; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 62.7 cm³; (14)Molar Volume: 192.2 cm³; (15)Surface Tension: 40.4 dyne/cm; (16)Density: 1.2 g/cm³; (17)Flash Point: 192.9 °C; (18)Enthalpy of Vaporization: 64.56 kJ/mol; (19)Boiling Point: 395.4 °C at 760 mmHg; (20)Vapour Pressure: 1.84E-06 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
As a chemical, it is irritating to eyes, respiratory system and skin. If contact with eyes accidently, rinse immediately with plenty of water and seek medical advice. In addition, during using it, wear suitable protective clothing, gloves and eye/face protection.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(c1cc(C=O)n(c1)C)c2ccc(F)cc2
(2) InChI: InChI=1/C13H10FNO2/c1-15-7-10(6-12(15)8-16)13(17)9-2-4-11(14)5-3-9/h2-8H,1H3
(3) InChIKey: GNMRXQTZWYXHMO-UHFFFAOYAW