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1041423-26-0

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Basic Information
CAS No.: 1041423-26-0
Name: 1,3-Dichloro-6-fluoroisoquinoline
Molecular Structure:
Molecular Structure of 1041423-26-0 (1,3-Dichloro-6-fluoroisoquinoline)
Formula: C9H4Cl2FN
Molecular Weight: 216.0392
Synonyms: Isoquinoline, 1,3-dichloro-6-fluoro-;
Density: 1.491 g/cm3
Melting Point: 131-133 °C
Boiling Point: 332.3 °C at 760 mmHg
Flash Point: 154.7 °C
Hazard Symbols: Xn
Risk Codes: 22-37/38-41
Safety: 26-36/37
PSA: 12.89000
LogP: 3.68070
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Specification

The 1,3-Dichloro-6-fluoroisoquinoline, with the CAS registry number 1041423-26-0, is also known as Isoquinoline, 1,3-dichloro-6-fluoro-. This chemical's molecular formula is C9H4Cl2FN and molecular weight is 216.0392. 

Physical properties about 1,3-Dichloro-6-fluoroisoquinoline are: (1)ACD/LogP: 3.36; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.36; (4)ACD/LogD (pH 7.4): 3.36; (5)#H bond acceptors: 1; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 0; (8)Polar Surface Area: 12.89 Å2; (9)Index of Refraction: 1.636; (10)Molar Refractivity: 51.97 cm3; (11)Molar Volume: 144.8 cm3; (12)Polarizability: 20.6×10-24 cm3; (13)Surface Tension: 49.4 dyne/cm; (14)Density: 1.491 g/cm3; (15)Flash Point: 154.7 °C; (16)Enthalpy of Vaporization: 55.22 kJ/mol; (17)Boiling Point: 332.3 °C at 760 mmHg; (18)Vapour Pressure: 0.000285 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: c1cc2c(cc1F)cc(nc2Cl)Cl
(2) InChI: InChI=1/C9H4Cl2FN/c10-8-4-5-3-6(12)1-2-7(5)9(11)13-8/h1-4H
(3) InChIKey: BDAYBRFYRZTMGQ-UHFFFAOYAP