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| CAS No.: | 173908-24-2 |
|---|---|
| Name: | 1-[(2-Nitrophenyl)sulfonyl]-1H-indole |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C14H10N2O4S |
| Molecular Weight: | 302.31 |
| Synonyms: | 1-[(2-Nitrophenyl)sulfonyl]-1H-indole |
| Density: | 1.44 g/cm3 |
| Boiling Point: | 530.8 °C at 760 mmHg |
| Flash Point: | 274.8 °C |
| PSA: | 93.27000 |
| LogP: | 4.39050 |
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Specification
The CAS registry number of 1H-Indole,1-[(2-nitrophenyl)sulfonyl]- is 173908-24-2. This chemical's molecular formula is C14H10N2O4S and molecular weight is 302.3052. Its IUPAC name is called 1-(2-nitrophenyl)sulfonylindole.
Physical properties of 1H-Indole,1-[(2-nitrophenyl)sulfonyl]-: (1)ACD/LogP: 3.73; (2)#H bond acceptors: 6; (3)#Freely Rotating Bonds: 3; (4)Index of Refraction: 1.678; (5)Molar Refractivity: 78.78 cm3; (6)Molar Volume: 208.9 cm3; (7)Surface Tension: 64.1 dyne/cm; (8)Density: 1.44 g/cm3; (9)Flash Point: 274.8 °C; (10)Enthalpy of Vaporization: 80.62 kJ/mol; (11)Boiling Point: 530.8 °C at 760 mmHg; (12)Vapour Pressure: 2.38E-11 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C=CN2S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]
(2)InChI: InChI=1S/C14H10N2O4S/c17-16(18)13-7-3-4-8-14(13)21(19,20)15-10-9-11-5-1-2-6-12(11)15/h1-10H
(3)InChIKey: HUQBHLJAJLUOMR-UHFFFAOYSA-N