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497084-46-5

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Basic Information
CAS No.: 497084-46-5
Name: 3-Iodo-8-nitro-quinoline
Article Data: 12
Molecular Structure:
Molecular Structure of 497084-46-5 (3-Iodo-8-nitro-quinoline)
Formula: C9H5IN2O2
Molecular Weight: 300.055
Synonyms: 3-Iodo-8-nitroquinoline;
Density: 1.991 g/cm3
Boiling Point: 401.191 °C at 760 mmHg
Flash Point: 196.434 °C
PSA: 58.71000
LogP: 3.27080
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Specification

The CAS register number of Quinoline,3-iodo-8-nitro- is 497084-46-5. The systematic name about this chemical is 3-iodo-8-nitroquinoline. The molecular formula about this chemical is C9H5IN2O2 and the molecular weight is 300.0527.

Physical properties about Quinoline,3-iodo-8-nitro- are: (1)ACD/LogP: 2.39; (2)ACD/LogD (pH 5.5): 2; (3)ACD/LogD (pH 7.4): 2; (4)ACD/BCF (pH 5.5): 47; (5)ACD/BCF (pH 7.4): 47; (6)ACD/KOC (pH 5.5): 546; (7)ACD/KOC (pH 7.4): 546; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 58.71 Å2; (11)Index of Refraction: 1.754; (12)Molar Refractivity: 61.639 cm3; (13)Molar Volume: 150.687 cm3; (14)Polarizability: 24.436x10-24cm3; (15)Surface Tension: 70.31 dyne/cm; (16)Density: 1.991 g/cm3; (17)Flash Point: 196.434 °C; (18)Enthalpy of Vaporization: 62.676 kJ/mol; (19)Boiling Point: 401.191 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c1cccc2cc(I)cnc12
(2)InChI: InChI=1/C9H5IN2O2/c10-7-4-6-2-1-3-8(12(13)14)9(6)11-5-7/h1-5H
(3)InChIKey: JTOBADNVHAZTAP-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C9H5IN2O2/c10-7-4-6-2-1-3-8(12(13)14)9(6)11-5-7/h1-5H
(5)Std. InChIKey: JTOBADNVHAZTAP-UHFFFAOYSA-N