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101494-93-3

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Basic Information
CAS No.: 101494-93-3
Name: 7-Chlorocinnolin-3-ol
Molecular Structure:
Molecular Structure of 101494-93-3 (7-Chlorocinnolin-3-ol)
Formula: C8H5ClN2O
Molecular Weight: 180.593
Synonyms: 3-Cinnolinol,7-chloro- (6CI);NSC 72288;
Density: 1.5 g/cm3
Boiling Point: 383 °C at 760 mmHg
Flash Point: 185.4 °C
PSA: 46.01000
LogP: 1.98880
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Specification

The 3(2H)-Cinnolinone,7-chloro- is an organic compound with the formula C8H5ClN2O. The systematic name of this chemical is 7-Chlorocinnolin-3(2H)-one. With the CAS registry number 101494-93-3, it is also named as 7-Chloro-3-cinnolinol. Besides, its molecular weight is 180.5911.

Physical properties about 3(2H)-Cinnolinone,7-chloro- are: (1)ACD/LogP: 0.87; (2)ACD/LogD (pH 5.5): 0.49; (3)ACD/LogD (pH 7.4): 0.1; (4)ACD/BCF (pH 5.5): 1.19; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 32.6; (7)ACD/KOC (pH 7.4): 13.2; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)Polar Surface Area: 32.67 Å2; (11)Index of Refraction: 1.688; (12)Molar Refractivity: 45.87 cm3; (13)Molar Volume: 120.2 cm3; (14)Polarizability: 18.18×10-24 cm3; (15)Surface Tension: 55.1 dyne/cm; (16)Density: 1.5 g/cm3; (17)Flash Point: 185.4 °C; (18)Enthalpy of Vaporization: 65.62 kJ/mol; (19)Boiling Point: 383 °C at 760 mmHg; (20)Vapour Pressure: 2.06E-06 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H5ClN2O/c9-6-2-1-5-3-8(12)11-10-7(5)4-6/h1-4H,(H,11,12)
(2)InChIKey: XWBNQJIVYPOBNF-UHFFFAOYAM
(3)Std. InChI: InChI=1S/C8H5ClN2O/c9-6-2-1-5-3-8(12)11-10-7(5)4-6/h1-4H,(H,11,12)
(4)Std. InChIKey: XWBNQJIVYPOBNF-UHFFFAOYSA-N