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Name	1-Isoquinolinecarbonitrile,2-(3-chloro-1-oxopropyl)-1,2-dihydro-	EINECS	N/A
CAS No.	32409-95-3	Density	1.3 g/cm³
PSA	44.10000	LogP	2.63098
Solubility	N/A	Melting Point	N/A
Formula	C₁₃H₁₁ClN₂O	Boiling Point	510.8 °C at 760 mmHg
Molecular Weight	246.696	Flash Point	262.7 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	Isoquinaldonitrile,2-(3-chloropropionyl)-1,2-dihydro- (8CI);NSC 246968;

1-Isoquinolinecarbonitrile,2-(3-chloro-1-oxopropyl)-1,2-dihydro- Specification

The 1-Isoquinolinecarbonitrile,2-(3-chloro-1-oxopropyl)-1,2-dihydro-, with the CAS registry number 32409-95-3, is also known as NSC246968. This chemical's molecular formula is C₁₃H₁₁ClN₂O and molecular weight is 246.69224. Its IUPAC name is called 2-(3-chloropropanoyl)-1H-isoquinoline-1-carbonitrile.

Physical properties of 1-Isoquinolinecarbonitrile,2-(3-chloro-1-oxopropyl)-1,2-dihydro-: (1)ACD/LogP: 2.24; (2)#H bond acceptors: 3; (3)#Freely Rotating Bonds: 2; (4)Index of Refraction: 1.614; (5)Molar Refractivity: 65.77 cm³; (6)Molar Volume: 188.6 cm³; (7)Surface Tension: 56.8 dyne/cm; (8)Density: 1.3 g/cm³; (9)Flash Point: 262.7 °C; (10)Enthalpy of Vaporization: 78.17 kJ/mol; (11)Boiling Point: 510.8 °C at 760 mmHg; (12)Vapour Pressure: 1.5E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC=C2C(N(C=CC2=C1)C(=O)CCCl)C#N
(2)InChI: InChI=1S/C13H11ClN2O/c14-7-5-13(17)16-8-6-10-3-1-2-4-11(10)12(16)9-15/h1-4,6,8,12H,5,7H2
(3)InChIKey: OVKNQLCXEQHYLH-UHFFFAOYSA-N

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