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129287-26-9

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Basic Information
CAS No.: 129287-26-9
Name: 3-(6-Chloro-3-pyridazinyl)-1H-indole
Article Data: 2
Molecular Structure:
Molecular Structure of 129287-26-9 (3-(6-Chloro-3-pyridazinyl)-1H-indole)
Formula: C12H8ClN3
Molecular Weight: 229.669
Synonyms: 3-(6-chloropyridazin-3-yl)-1H-indole;
EINECS: 604-604-1
Density: 1.387 g/cm3
Melting Point: 270-272 °C
Boiling Point: 518.4 °C at 760 mmHg
Flash Point: 298.4 °C
Hazard Symbols: T
Risk Codes: 25
Safety: 45
PSA: 41.57000
LogP: 3.27830
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Specification

The 1H-Indole,3-(6-chloro-3-pyridazinyl)-, with the CAS registry number 129287-26-9, is also known as 3-(6-Chloro-3-pyridazinyl)-1H-indole. It belongs to the product category of API Intermediates. This chemical's molecular formula is C12H8ClN3 and molecular weight is 229.66502. Its IUPAC name is called 3-(6-chloropyridazin-3-yl)-1H-indole.

Physical properties of 1H-Indole,3-(6-chloro-3-pyridazinyl)-: (1)ACD/LogP: 1.76; (2)ACD/LogD (pH 5.5): 1.76; (3)ACD/LogD (pH 7.4): 1.76; (4)ACD/BCF (pH 5.5): 12.74; (5)ACD/BCF (pH 7.4): 12.74; (6)ACD/KOC (pH 5.5): 215.09; (7)ACD/KOC (pH 7.4): 215.09; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 1; (11)Index of Refraction: 1.702; (12)Molar Refractivity: 64.19 cm3; (13)Molar Volume: 165.5 cm3; (14)Surface Tension: 63.9 dyne/cm; (15)Density: 1.387 g/cm3; (16)Flash Point: 298.4 °C; (17)Enthalpy of Vaporization: 76.11 kJ/mol; (18)Boiling Point: 518.4 °C at 760 mmHg; (19)Vapour Pressure: 2.47E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(=C1)C(=CN2)C3=NN=C(C=C3)Cl
(2)InChI: InChI=1S/C12H8ClN3/c13-12-6-5-11(15-16-12)9-7-14-10-4-2-1-3-8(9)10/h1-7,14H
(3)InChIKey: CLXGESVVZOJONY-UHFFFAOYSA-N