3-AMINOBENZOFURAN-2-CARBOXAMIDE 97

The 2-Benzofurancarboxamide,3-amino-, with the CAS registry number 54802-10-7, is also known as 3-Aminobenzofuran-2-carboxamide. It belongs to the product categories of Benzofurans; Building Blocks; Heterocyclic Building Blocks. This chemical's molecular formula is C₉H₈N₂O₂ and molecular weight is 176.17. What's more, its IUPAC name is 3-amino-1-benzofuran-2-carboxamide. It should be sealed and stored in a cool and dry place.

Physical properties of 2-Benzofurancarboxamide,3-amino- are: (1)ACD/LogP: 1.26; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.26; (4)ACD/LogD (pH 7.4): 1.26; (5)ACD/BCF (pH 5.5): 5.3; (6)ACD/BCF (pH 7.4): 5.3; (7)ACD/KOC (pH 5.5): 114.78; (8)ACD/KOC (pH 7.4): 114.8; (9)#H bond acceptors: 4; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 36.69 Å²; (13)Index of Refraction: 1.706; (14)Molar Refractivity: 49.56 cm³; (15)Molar Volume: 127.3 cm³; (16)Polarizability: 19.64×10^-24cm³; (17)Surface Tension: 67.7 dyne/cm; (18)Density: 1.383 g/cm³; (19)Flash Point: 178.1 °C; (20)Enthalpy of Vaporization: 61.79 kJ/mol; (21)Boiling Point: 370.9 °C at 760 mmHg; (22)Vapour Pressure: 1.07E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is toxic if swallowed. It may cause sensitisation by skin contact. When using it, you need wear suitable gloves and eye/face protection. In case of accident or if you feel unwell, you must seek medical advice immediately (show the label where possible).

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=C(O2)C(=O)N)N
(2)InChI: InChI=1S/C9H8N2O2/c10-7-5-3-1-2-4-6(5)13-8(7)9(11)12/h1-4H,10H2,(H2,11,12)
(3)InChIKey: FXOYSSLDDDZIJN-UHFFFAOYSA-N