Basic Information | Post buying leads | Suppliers |
Name |
1H-Benzimidazole-7-carboxylicacid, 2-(2-furanyl)- |
EINECS | N/A |
CAS No. | 124340-76-7 | Density | 1.465 g/cm3 |
PSA | 79.12000 | LogP | 2.52110 |
Solubility | N/A | Melting Point |
222-225 °C |
Formula | C12H8N2O3 | Boiling Point | 522.8 °C at 760 mmHg |
Molecular Weight | 228.207 | Flash Point | 270 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
1H-Benzimidazole-4-carboxylicacid, 2-(2-furanyl)- (9CI); |
The 1H-Benzimidazole-7-carboxylicacid, 2-(2-furanyl)-, with the CAS registry number of 124340-76-7, is also known as Acide 2-(2-furyl)-1H-benzimidazole-4-carboxylique. This chemical's molecular formula is C12H8N2O3 and molecular weight is 228.2. What's more, its systematic name is called 2-(2-Furyl)-1H-benzimidazole-4-carboxylic acid.
Physical properties about 1H-Benzimidazole-7-carboxylicacid, 2-(2-furanyl)- are: (1)ACD/LogP: 2.35; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1.98; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 5; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 57.26 Å2; (11)Index of Refraction: 1.703; (12)Molar Refractivity: 60.44 cm3; (13)Molar Volume: 155.7 cm3; (14)Surface Tension: 72.4 dyne/cm; (15)Density: 1.465 g/cm3; (16)Flash Point: 270 °C; (17)Enthalpy of Vaporization: 83.83 kJ/mol; (18)Boiling Point: 522.8 °C at 760 mmHg; (19)Vapour Pressure: 9.3E-12 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: c1cc(c2c(c1)[nH]c(n2)c3ccco3)C(=O)O
(2) InChI: InChI=1/C12H8N2O3/c15-12(16)7-3-1-4-8-10(7)14-11(13-8)9-5-2-6-17-9/h1-6H,(H,13,14)(H,15,16)
(3) InChIKey: PJIHCVZPLGUTGB-UHFFFAOYAQ