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CAS No.: | 554411-20-0 |
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Name: | 4-Methoxy-3-nitrophenylboronic acid, pinacol ester |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C13H18BNO5 |
Molecular Weight: | 279.101 |
Synonyms: | 2-(4-Methoxy-3-nitrophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane;1,3,2-Dioxaborolane,2-(4-methoxy-3-nitrophenyl)-4,4,5,5-tetramethyl-; |
Density: | 1.16 g/cm3 |
Boiling Point: | 393.7 °C at 760 mmHg |
Flash Point: | 191.9 °C |
PSA: | 73.51000 |
LogP: | 2.42580 |
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The 4-Methoxy-3-nitrophenylboronic acid, pinacol ester, with the CAS registry number 554411-20-0, is also known as 1, 3, 2-Dioxaborolane, 2-(4-methoxy-3-nitrophenyl)-4, 4, 5, 5-tetramethyl-. This chemical's molecular formula is C13H18BNO5 and molecular weight is 279.10. What's more, its IUPAC name is 2-(4-Methoxy-3-nitrophenyl)-4, 4, 5, 5-tetramethyl-1, 3, 2-dioxaborolane.
Physical properties about 4-Methoxy-3-nitrophenylboronic acid, pinacol ester are: (1)#H bond acceptors: 6; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 3; (4)Polar Surface Area: 73.51 Å2; (5)Index of Refraction: 1.513; (6)Molar Refractivity: 71.85 cm3; (7)Molar Volume: 238.8 cm3; (8)Polarizability: 28.48×10-24 cm3; (9)Surface Tension: 39.1 dyne/cm; (10)Density: 1.16 g/cm3; (11)Flash Point: 191.9 °C; (12)Enthalpy of Vaporization: 61.85 kJ/mol; (13)Boiling Point: 393.7 °C at 760 mmHg; (14)Vapour Pressure: 4.75E-06 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: CC1(C)OB(OC1(C)C)c2cc(N(=O)=O)c(OC)cc2
(2) InChI: InChI=1/C13H18BNO5/c1-12(2)13(3,4)20-14(19-12)9-6-7-11(18-5)10(8-9)15(16)17/h6-8H,1-5H3
(3) InChIKey: RHBKXETXNLZMEX-UHFFFAOYAL