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| CAS No.: | 89978-84-7 |
|---|---|
| Name: | 6-CHLORO-2,3-DIHYDRO-1H-INDOLE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C8H9Cl2N |
| Molecular Weight: | 190.06976 |
| Synonyms: | 1H-Indole,6-chloro-2,3-dihydro-, hydrochloride (9CI);Indoline, 6-chloro-, hydrochloride(7CI);6-Chloroindoline hydrochloride; |
| Boiling Point: | 285.5 °C at 760 mmHg |
| Flash Point: | 126.5 °C |
| PSA: | 12.03000 |
| LogP: | 3.24800 |
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Specification
The 1H-Indole,6-chloro-2,3-dihydro-, hydrochloride (1:1), with CAS registry number 89978-84-7, has the systematic name of 6-chloro-2,3-dihydro-1H-indole hydrochloride. Besides this, it is also called 1H-Indole,6-chloro-2,3-dihydro-, hydrochloride (9CI). And the chemical formula of this chemical is C8H9Cl2N.
Physical properties of 1H-Indole,6-chloro-2,3-dihydro-, hydrochloride (1:1): (1)ACD/LogP: 2.75; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.73; (4)ACD/LogD (pH 7.4): 2.75; (5)ACD/BCF (pH 5.5): 68.39; (6)ACD/BCF (pH 7.4): 72.85; (7)ACD/KOC (pH 5.5): 703.35; (8)ACD/KOC (pH 7.4): 749.28; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 12.03 Å2; (13)Flash Point: 126.5 °C; (14)Enthalpy of Vaporization: 53.51 kJ/mol; (15)Boiling Point: 285.5 °C at 760 mmHg; (16)Vapour Pressure: 0.00213 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: Cl.Clc1ccc2CCNc2c1
(2)InChI: InChI=1/C8H8ClN.ClH/c9-7-2-1-6-3-4-10-8(6)5-7;/h1-2,5,10H,3-4H2;1H
(3)InChIKey: JHOLXKBFVQAMCF-UHFFFAOYAX