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62206-13-7

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Basic Information
CAS No.: 62206-13-7
Name: 1-(5-CHLORO-2-NITROPHENYL)-3,4-DIHYDRO-6,7-DIMETHOXYISOQUINOLINE
Article Data: 3
Molecular Structure:
Molecular Structure of 62206-13-7 (1-(5-CHLORO-2-NITROPHENYL)-3,4-DIHYDRO-6,7-DIMETHOXYISOQUINOLINE)
Formula: C17H15ClN2O4
Molecular Weight: 346.77
Synonyms: 1-(5-Chloro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline;1-(5-Chloro-2-nitrophenyl)-3,4-dihydro-6,7-dimethoxyisoquinoline;
Density: 1.37 g/cm3
Melting Point: 169 °C
Boiling Point: 494.3 °C at 760 mmHg
Flash Point: 252.7 °C
Hazard Symbols: IrritantXi
PSA: 76.64000
LogP: 3.61770
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Specification

The Isoquinoline,1-(5-chloro-2-nitrophenyl)-3,4-dihydro-6,7-dimethoxy-, with the CAS registry number 62206-13-7, is also known as 1-(5-Chloro-2-nitrophenyl)-3,4-dihydro-6,7-dimethoxyisoquinoline. It belongs to the product category of Classes of Quinoline & Isoquinoline. This chemical's molecular formula is C17H15ClN2O4 and molecular weight is 346.77. What's more, its systematic name is 1-(5-Chloro-2-nitrophenyl)-6,7-dimethoxy-3,4-dihydroisoquinoline. When you are using this chemical, please be cautious about it. It may cause inflammation to the skin or other mucous membranes.

Physical properties of Isoquinoline,1-(5-chloro-2-nitrophenyl)-3,4-dihydro-6,7-dimethoxy- are: (1)ACD/LogP: 3.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.59; (4)ACD/LogD (pH 7.4): 3.63; (5)ACD/BCF (pH 5.5): 311.76; (6)ACD/BCF (pH 7.4): 335.66; (7)ACD/KOC (pH 5.5): 2077.06; (8)ACD/KOC (pH 7.4): 2236.27; (9)#H bond acceptors: 6; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 76.64 Å2; (13)Index of Refraction: 1.625; (14)Molar Refractivity: 88.96 cm3; (15)Molar Volume: 251.3 cm3; (16)Polarizability: 35.26×10-24cm3; (17)Surface Tension: 48.6 dyne/cm; (18)Density: 1.37 g/cm3; (19)Flash Point: 252.7 °C; (20)Enthalpy of Vaporization: 73.27 kJ/mol; (21)Boiling Point: 494.3 °C at 760 mmHg; (22)Vapour Pressure: 1.99E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c3ccc(Cl)cc3C/1=N/CCc2cc(OC)c(OC)cc\12
(2)Std. InChI: InChI=1S/C17H15ClN2O4/c1-23-15-7-10-5-6-19-17(12(10)9-16(15)24-2)13-8-11(18)3-4-14(13)20(21)22/h3-4,7-9H,5-6H2,1-2H3
(3)Std. InChIKey: UCWAPLAIZMBGPF-UHFFFAOYSA-N