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131002-09-0

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Basic Information
CAS No.: 131002-09-0
Name: 6-Chloroisoquinolin-1(2H)-one
Article Data: 8
Molecular Structure:
Molecular Structure of 131002-09-0 (6-Chloroisoquinolin-1(2H)-one)
Formula: C9H6ClNO
Molecular Weight: 179.606
Synonyms: 6-chloro-1-isoquinolinone;6-chloranyl-2H-isoquinolin-1-one;6-Chloroisoquinolin-1-ol;CL1049;
Density: 1.34 g/cm3
Boiling Point: 430.374 °C at 760 mmHg
Flash Point: 214.083 °C
PSA: 32.86000
LogP: 2.18150
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Specification

The 6-Chloroisoquinolin-1(2H)-one is an organic compound with the formula C9H6ClNO. The IUPAC name of this chemical is 6-chloroisoquinolin-1(2H)-one. With the CAS registry number 131002-09-0, it is also named as 6-chloro-2-hydroisoquinolin-1-one.

Physical properties about 6-Chloroisoquinolin-1(2H)-one are: (1)ACD/LogP: 2.74; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 12; (5)ACD/BCF (pH 7.4): 12; (6)ACD/KOC (pH 5.5): 211; (7)ACD/KOC (pH 7.4): 211; (8)#H bond acceptors: 2; (9)#H bond donors: 1; (10)Polar Surface Area: 29.1 Å2; (11)Index of Refraction: 1.609; (12)Molar Refractivity: 46.404 cm3; (13)Molar Volume: 134.038 cm3; (14)Polarizability: 18.396×10-24cm3; (15)Surface Tension: 46.856 dyne/cm; (16)Density: 1.34 g/cm3; (17)Flash Point: 214.083 °C; (18)Enthalpy of Vaporization: 68.582 kJ/mol; (19)Boiling Point: 430.374 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc2ccc1c(\C=C/NC1=O)c2CopyCopied
(2)InChI: InChI=1/C9H6ClNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12)
(3)InChIKey: AVLGVJHAZWURPZ-UHFFFAOYAK
(4)Std. InChI: InChI=1S/C9H6ClNO/c10-7-1-2-8-6(5-7)3-4-11-9(8)12/h1-5H,(H,11,12)
(5)Std. InChIKey: AVLGVJHAZWURPZ-UHFFFAOYSA-N