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Name |
1-Isoindolinone-6-boronic acid pinacol ester |
EINECS | N/A |
CAS No. | 1004294-80-7 | Density | 1.163 g/cm3 |
PSA | 47.56000 | LogP | 1.55800 |
Solubility | N/A | Melting Point |
N/A |
Formula | C14H18BNO3 | Boiling Point | 466.838 °C at 760 mmHg |
Molecular Weight | 259.113 | Flash Point | 236.136 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
6-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one; |
Article Data | 11 |
The CAS register number of 1-Isoindolinone-6-boronic acid pinacol ester is 1004294-80-7. It also can be called as 1H-Isoindol-1-one,2,3-dihydro-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)- and the systematic name about this chemical is 6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)isoindolin-1-one. The molecular formula about this chemical is C14H18BNO3 and the molecular weight is 258.14.
Physical properties about 1-Isoindolinone-6-boronic acid pinacol ester are: (1)#H bond acceptors: 4; (2)#H bond donors: 1; (3)#Freely Rotating Bonds: 1; (4)Polar Surface Area: 47.56Å2; (5)Index of Refraction: 1.544; (6)Molar Refractivity: 70.43 cm3; (7)Molar Volume: 222.8 cm3; (8)Polarizability: 27.92x10-24cm3; (9)Surface Tension: 40.5 dyne/cm; (10)Flash Point: 236.1 °C; (11)Enthalpy of Vaporization: 72.87 kJ/mol; (12)Boiling Point: 466.8 °C at 760 mmHg; (13)Vapour Pressure: 6.85E-09 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc3c(c2)C(=O)NC3
(2)InChI: InChI=1/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-6-5-9-8-16-12(17)11(9)7-10/h5-7H,8H2,1-4H3,(H,16,17)
(3)InChIKey: BUORFAFSDKNVNY-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C14H18BNO3/c1-13(2)14(3,4)19-15(18-13)10-6-5-9-8-16-12(17)11(9)7-10/h5-7H,8H2,1-4H3,(H,16,17)
(5)Std. InChIKey: BUORFAFSDKNVNY-UHFFFAOYSA-N