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Basic Information
CAS No.: 62208-67-7
Name: 3-AMINO-1-BENZOFURAN-2-CARBONITRILE
Article Data: 4
Molecular Structure:
Molecular Structure of 62208-67-7 (3-AMINO-1-BENZOFURAN-2-CARBONITRILE)
Formula: C9H6N2O
Molecular Weight: 158.16
Synonyms: 3-Amino-2-benzofurancarbonitrile;3-Amino-1-benzofuran-2-carbonitrile;
Density: 1.31 g/cm3
Melting Point: 149 °C(Solv: ligroine (8032-32-4))
Boiling Point: 347.3 °C at 760 mmHg
Flash Point: 163.8 °C
PSA: 62.95000
LogP: 2.46788
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Specification

The 2-Benzofurancarbonitrile,3-amino-, with the CAS registry number 62208-67-7, is also known as 3-Amino-2-benzofurancarbonitrile. This chemical's molecular formula is C9H6N2O and molecular weight is 158.16. What's more, its systematic name is 3-amino-1-benzofuran-2-carbonitrile.

Physical properties of 2-Benzofurancarbonitrile,3-amino- are: (1)ACD/LogP: 1.86; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.85; (4)ACD/LogD (pH 7.4): 1.85; (5)ACD/BCF (pH 5.5): 15.12; (6)ACD/BCF (pH 7.4): 15.12; (7)ACD/KOC (pH 5.5): 243.18; (8)ACD/KOC (pH 7.4): 243.18; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 40.17 Å2; (13)Index of Refraction: 1.673; (14)Molar Refractivity: 44.97 cm3; (15)Molar Volume: 119.9 cm3; (16)Polarizability: 17.83×10-24cm3; (17)Surface Tension: 65.4 dyne/cm; (18)Density: 1.31 g/cm3; (19)Flash Point: 163.8 °C; (20)Enthalpy of Vaporization: 59.15 kJ/mol; (21)Boiling Point: 347.3 °C at 760 mmHg; (22)Vapour Pressure: 5.45E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=C(O2)C#N)N
(2)InChI: InChI=1S/C9H6N2O/c10-5-8-9(11)6-3-1-2-4-7(6)12-8/h1-4H,11H2
(3)InChIKey: KPLPXBCQZSGRGU-UHFFFAOYSA-N