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817209-48-6

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Basic Information
CAS No.: 817209-48-6
Name: 4-Chloro-8-methoxycinnoline
Article Data: 2
Molecular Structure:
Molecular Structure of 817209-48-6 (4-Chloro-8-methoxycinnoline)
Formula: C9H7ClN2O
Molecular Weight: 194.62
Synonyms: 4-Chlor-8-methoxy-cinnolin;4-chloro-8-methoxy-cinnoline;Cinnoline,4-chloro-8-methoxy;
Density: 1.333 g/cm3
Boiling Point: 341.807 °C at 760 mmHg
Flash Point: 160.519 °C
PSA: 35.01000
LogP: 2.29180
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Specification

The Cinnoline,4-chloro-8-methoxy- is an organic compound with the formula C9H7ClN2O. The IUPAC name of this chemical is 4-Chloro-8-methoxycinnoline. The CAS registry number of this chemical is 817209-48-6. Besides, its molecular weight is 194.6177.

Physical properties about Cinnoline,4-chloro-8-methoxy- are: (1)ACD/LogP: 1.73; (2)ACD/LogD (pH 5.5): 1.725; (3)ACD/LogD (pH 7.4): 1.725; (4)ACD/BCF (pH 5.5): 12.045; (5)ACD/BCF (pH 7.4): 12.045; (6)ACD/KOC (pH 5.5): 206.668; (7)ACD/KOC (pH 7.4): 206.668; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 35.01 Å2; (11)Index of Refraction: 1.629; (12)Molar Refractivity: 51.851 cm3; (13)Molar Volume: 145.95 cm3; (14)Polarizability: 20.556×10-24 cm3; (15)Surface Tension: 52.008 dyne/cm; (16)Density: 1.333 g/cm3; (17)Flash Point: 160.519 °C; (18)Enthalpy of Vaporization: 56.233 kJ/mol; (19)Boiling Point: 341.807 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: COc1cccc2c1nncc2Cl
(2)InChI: InChI=1/C9H7ClN2O/c1-13-8-4-2-3-6-7(10)5-11-12-9(6)8/h2-5H,1H3
(3)InChIKey: GONYAWZDHYGLAS-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C9H7ClN2O/c1-13-8-4-2-3-6-7(10)5-11-12-9(6)8/h2-5H,1H3
(5)Std. InChIKey: GONYAWZDHYGLAS-UHFFFAOYSA-N