IUPAC Name: 4-[(Z)-2-Nitroethenyl]-1H-indole
Synonyms of 1H-Indole,4-(2-nitroethenyl)- (CAS NO.49839-99-8): 4-[(Z)-2-Nitrovinyl]-1H-indole ; 4-(2-Nitrovinyl)indole ; 4-(2-Nitrovinyl)-1H-indole
CAS NO: 49839-99-8
Molecular Formula: C10H8N2O2
Molecular Weight: 188.18
Molecular Structure:
H bond acceptors: 4
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 61.61 Å2
Index of Refraction: 1.734
Molar Refractivity: 55.8 cm3
Molar Volume: 139.1 cm3
Surface Tension: 63.3 dyne/cm
Density: 1.352 g/cm3
Flash Point: 199.4 °C
Enthalpy of Vaporization: 63.22 kJ/mol
Boiling Point: 406.1 °C at 760 mmHg
Vapour Pressure: 1.95E-06 mmHg at 25°C
Melting Point: 161-163°C
SMILES: c1cc(c2cc[nH]c2c1)C=C[N+](=O)[O-]
InChI: InChI=1/C10H8N2O2/c13-12(14)7-5-8-2-1-3-10-9(8)4-6-11-10/h1-7,11H/b7-5-
InChIKey: DQVWAEMRCAYLKH-ALCCZGGFBU
Std. InChI: InChI=1S/C10H8N2O2/c13-12(14)7-5-8-2-1-3-10-9(8)4-6-11-10/h1-7,11H/b7-5-
Std. InChIKey: DQVWAEMRCAYLKH-ALCCZGGFSA-N
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