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1H-Indole,2,3-dihydro-3,3-dimethyl-6-nitro-

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Name

1H-Indole,2,3-dihydro-3,3-dimethyl-6-nitro-

EINECS
CAS No. 179898-72-7 Density 1.166 g/cm3
Solubility Melting Point
Formula C10H12N2O2 Boiling Point 301.731 °C at 760 mmHg
Molecular Weight 192.2145 Flash Point 136.282 °C
Transport Information Appearance
Safety Risk Codes
Molecular Structure Molecular Structure of 179898-72-7 (1H-Indole,2,3-dihydro-3,3-dimethyl-6-nitro-) Hazard Symbols
Synonyms

3,3-Dimethyl-6-nitro-2,3-dihydro-1H-indole;3,3-Dimethyl-6-nitroindoline;

 

1H-Indole,2,3-dihydro-3,3-dimethyl-6-nitro- Specification

The 1H-Indole,2,3-dihydro-3,3-dimethyl-6-nitro-, with the CAS registry number 179898-72-7, is also known as 3,3-Dimethyl-6-nitroindoline. This chemical's molecular formula is C10H12N2O2 and molecular weight is 192.2145. Its systematic name is called 3,3-dimethyl-6-nitro-2,3-dihydro-1H-indole.

Physical properties of 1H-Indole,2,3-dihydro-3,3-dimethyl-6-nitro-: (1)ACD/LogP: 2.75; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 3; (4)ACD/BCF (pH 5.5): 102; (5)ACD/BCF (pH 7.4): 103; (6)ACD/KOC (pH 5.5): 953; (7)ACD/KOC (pH 7.4): 962; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.557; (12)Molar Refractivity: 53.03 cm3; (13)Molar Volume: 164.814 cm3; (14)Surface Tension: 44.134 dyne/cm; (15)Density: 1.166 g/cm3; (16)Flash Point: 136.282 °C; (17)Enthalpy of Vaporization: 54.189 kJ/mol; (18)Boiling Point: 301.731 °C at 760 mmHg; (19)Vapour Pressure: 0.001 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=N(=O)c1ccc2c(c1)NCC2(C)C
(2)InChI: InChI=1/C10H12N2O2/c1-10(2)6-11-9-5-7(12(13)14)3-4-8(9)10/h3-5,11H,6H2,1-2H3
(3)InChIKey: OBRVKOVWGSBITQ-UHFFFAOYAD

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