Name: 7-Chloro-2-quinoxalinone
SKU: 59489-30-4

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Basic Information

Molecular Structure:
CAS No.:	59489-30-4
Name:	7-Chloro-2-quinoxalinone
Article Data:	10

Formula:	C₈H₅ClN₂O
Molecular Weight:	180.5911
Synonyms:	2(1H)-Quinoxalinone, 7-chloro-;7-Chloroquinoxalin-2(1H)-one;7-Chloro-1H-quinoxalin-2-one;7-Chloro-2(1H)-quinoxalinone;
Density:	1.5 g/cm³
Melting Point:	270 °C (decomp)
Boiling Point:	396.5 °C at 760 mmHg
Flash Point:	193.6 °C
PSA:	45.75000
LogP:	1.57650

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Specification

This chemical is called 7-Chloro-2-quinoxalinone, and it can also be named as 2(1H)-Quinoxalinone, 7-chloro-. With the molecular formula of C₈H₅ClN₂O, its molecular weight is 180.5911. The CAS registry number of this chemical is 59489-30-4. Additionally, the systematic name of this chemical is 7-Chloroquinoxalin-2(1H)-one.

Other characteristics of the 7-Chloro-2-quinoxalinone can be summarised as followings: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.68; (4)ACD/LogD (pH 7.4): 2.25; (5)ACD/BCF (pH 5.5): 63.75; (6)ACD/BCF (pH 7.4): 23.44; (7)ACD/KOC (pH 5.5): 674.77; (8)ACD/KOC (pH 7.4): 248.09; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 32.67 Å²; (13)Index of Refraction: 1.688; (14)Molar Refractivity: 45.87 cm³; (15)Molar Volume: 120.2 cm³; (16)Polarizability: 18.18×10^-24cm³; (17)Surface Tension: 55.1 dyne/cm; (18)Density: 1.5 g/cm³; (19)Flash Point: 193.6 °C; (20)Enthalpy of Vaporization: 67.2 kJ/mol; (21)Boiling Point: 396.5 °C at 760 mmHg; (22)Vapour Pressure: 7.46E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: Clc2ccc1\N=C/C(=O)Nc1c2
2.InChI: InChI=1/C8H5ClN2O/c9-5-1-2-6-7(3-5)11-8(12)4-10-6/h1-4H,(H,11,12)
3.InChIKey: HIDXVGIAGDJBIN-UHFFFAOYAN