7-(Trifluoromethoxy)isoquinolin-1(2H)-one supplier

Name
7-(Trifluoromethoxy)isoquinolin-1(2H)-one
EINECS
CAS No. 1184917-30-3
Density 1.41 g/cm³
Solubility
Melting Point
Formula C₁₀H₆F₃NO₂
Boiling Point 364.084 °C at 760 mmHg
Molecular Weight 229.16
Flash Point 173.992 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 7-(Trifluoromethoxy)-2-hydroisoquinolin-1-one;7-(Trifluoromethoxy)-2H-isoquinolin-1-one;
PSA
LogP

7-(Trifluoromethoxy)isoquinolin-1(2H)-one Specification

The 7-(Trifluoromethoxy)isoquinolin-1(2H)-one, with the CAS registry number 1184917-30-3, is also known as 7-(Trifluoromethoxy)-2-hydroisoquinolin-1-one. This chemical's molecular formula is C₁₀H₆F₃NO₂ and molecular weight is 229.16. What's more, its systematic name is 7-(Trifluoromethoxy)-2H-isoquinolin-1-one.

Physical properties of 7-(Trifluoromethoxy)isoquinolin-1(2H)-one are: (1)ACD/LogP: 3.92; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.922; (4)ACD/LogD (pH 7.4): 3.922; (5)ACD/BCF (pH 5.5): 563.015; (6)ACD/BCF (pH 7.4): 562.991; (7)ACD/KOC (pH 5.5): 3239.104; (8)ACD/KOC (pH 7.4): 3238.965; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 38.33 Å²; (13)Index of Refraction: 1.511; (14)Molar Refractivity: 48.645 cm³; (15)Molar Volume: 162.48 cm³; (16)Polarizability: 19.284×10^-24cm³; (17)Surface Tension: 35.242 dyne/cm; (18)Density: 1.41 g/cm³; (19)Flash Point: 173.992 °C; (20)Enthalpy of Vaporization: 61.022 kJ/mol; (21)Boiling Point: 364.084 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cc(cc2c1cc[nH]c2=O)OC(F)(F)F
(2)InChI: InChI=1S/C10H6F3NO2/c11-10(12,13)16-7-2-1-6-3-4-14-9(15)8(6)5-7/h1-5H,(H,14,15)
(3)InChIKey: AOWUFZTWDGOIAL-UHFFFAOYSA-N

Product Name

7-(Trifluoromethoxy)isoquinolin-1(2H)-one

7-(Trifluoromethoxy)isoquinolin-1(2H)-one Specification

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