4-chlorobenzofuro[3,2-d]pyrimidine (39876-88-5)

The 4-Chlorobenzo[4,5]furo[3,2-d]pyrimidine is an organic compound with the formula C₁₀H₅ClN₂O. The IUPAC name of this chemical is 4-chloro-[1]benzofuro[3,2-d]pyrimidine. With the CAS registry number 39876-88-5, it is also named as 4-chlorobenzofuro[3,2-d]pyrimidine and 4-Chloro-benzo[4,5]furo[3,2-d]pyrimidine.

Physical properties about this chemical are:(1)ACD/LogP: 2.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.334; (4)ACD/LogD (pH 7.4): 2.334; (5)ACD/BCF (pH 5.5): 34.973; (6)ACD/BCF (pH 7.4): 34.973; (7)ACD/KOC (pH 5.5): 443.215; (8)ACD/KOC (pH 7.4): 443.218; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.728; (13)Molar Refractivity: 55.315 cm³; (14)Molar Volume: 138.858 cm³; (15)Surface Tension: 64.218 dyne/cm; (16)Density: 1.474 g/cm³; (17)Flash Point: 162.199 °C; (18)Enthalpy of Vaporization: 56.529 kJ/mol; (19)Boiling Point: 344.585 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C

Additionally, you could obtain the molecular structure by converting the following datas:
(1)Canonical SMILES: C1=CC=C2C(=C1)C3=C(O2)C(=NC=N3)Cl
(2)InChI: InChI=1S/C10H5ClN2O/c11-10-9-8(12-5-13-10)6-3-1-2-4-7(6)14-9/h1-5H
(3)InChIKey: ABRHSRPOYMSBOI-UHFFFAOYSA-N