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Isoquinoline,6-chloro-1,2,3,4-tetrahydro- (33537-99-4)

Identification
Name:Isoquinoline,6-chloro-1,2,3,4-tetrahydro-
Synonyms:6-Chloro-1,2,3,4-tetrahydroisoquinoline;
CAS:33537-99-4
Molecular Formula: C9H10ClN
Molecular Weight: 167.64
InChI: InChI=1/C9H10ClN/c10-9-2-1-7-3-4-11-6-8(7)5-9/h1-2,5,11H,3-4,6H2
Molecular Structure: (C9H10ClN) 6-Chloro-1,2,3,4-tetrahydroisoquinoline;
Properties
Density:1.162 g/cm3
Refractive index:1.56
Specification:

This chemical is called 6-Chloro-1,2,3,4-tetrahydroisoquinoline, and it can also be named as Isoquinoline, 6-chloro-1,2,3,4-tetrahydro-. With the molecular formula of C9H10ClN, its molecular weight is 167.64. The CAS registry number of this chemical is 33537-99-4.

Other characteristics of the 6-Chloro-1,2,3,4-tetrahydroisoquinoline can be summarised as followings: (1)ACD/LogP: 2.26; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 1; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 0; (6)Polar Surface Area: 12.03 Å2; (7)Index of Refraction: 1.56; (8)Molar Refractivity: 46.67 cm3; (9)Molar Volume: 144.247 cm3; (10)Polarizability: 18.502×10-24cm3; (11)Surface Tension: 39.744 dyne/cm; (12)Density: 1.162 g/cm3; (13)Flash Point: 115.693 °C; (14)Enthalpy of Vaporization: 50.572 kJ/mol; (15)Boiling Point: 267.686 °C at 760 mmHg; (16)Vapour Pressure: 0.008 mmHg at 25°C.

You can still convert the following datas into molecular structure: 
1.SMILES: Clc1ccc2c(c1)CCNC2
2.InChI: InChI=1/C9H10ClN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2
3.InChIKey: NSURINBXOVVUNR-UHFFFAOYAY
4.Std. InChI: InChI=1S/C9H10ClN/c10-9-2-1-8-6-11-4-3-7(8)5-9/h1-2,5,11H,3-4,6H2
5.Std. InChIKey: NSURINBXOVVUNR-UHFFFAOYSA-N

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