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CAS No.: | 552866-98-5 |
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Name: | 4-FLUORO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE |
Article Data: | 17 |
Molecular Structure: | |
Formula: | C8H8FN |
Molecular Weight: | 137.157 |
Synonyms: | 4-Fluoroindoline;4-fluoro-2,3-dihydro-1H-indole; |
Density: | 1.154 g/cm3 |
Boiling Point: | 215.7 °C at 760 mmHg |
Flash Point: | 84.2 °C |
PSA: | 12.03000 |
LogP: | 1.93170 |
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The 1H-Indole,4-fluoro-2,3-dihydro-, with the CAS registry number 552866-98-5, has the systematic name of 4-fluoro-2,3-dihydro-1H-indole. It is a kind of organics, and should be stored in the dry and cool environment. And the molecular formula of the chemical is C8H8FN.
The characteristics of 1H-Indole,4-fluoro-2,3-dihydro- are as followings: (1)ACD/LogP: 2.11; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.09; (4)ACD/LogD (pH 7.4): 2.11; (5)ACD/BCF (pH 5.5): 22.36; (6)ACD/BCF (pH 7.4): 23.7; (7)ACD/KOC (pH 5.5): 316.38; (8)ACD/KOC (pH 7.4): 335.43; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.538; (14)Molar Refractivity: 37.15 cm3; (15)Molar Volume: 118.7 cm3; (16)Polarizability: 14.73×10-24cm3; (17)Surface Tension: 37.2 dyne/cm; (18)Density: 1.154 g/cm3; (19)Flash Point: 84.2 °C; (20)Enthalpy of Vaporization: 45.2 kJ/mol; (21)Boiling Point: 215.7 °C at 760 mmHg; (22)Vapour Pressure: 0.146 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: Fc1cccc2c1CCN2
(2)InChI: InChI=1/C8H8FN/c9-7-2-1-3-8-6(7)4-5-10-8/h1-3,10H,4-5H2
(3)InChIKey: CMQOXZRRFDMQKY-UHFFFAOYAP