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2-Methoxypyrimidine-5-boronic acid

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Name

2-Methoxypyrimidine-5-boronic acid

EINECS 670-240-4
CAS No. 628692-15-9 Density 1.335 g/cm3
PSA 75.47000 LogP -1.83500
Solubility N/A Melting Point 161°C(lit.)
Formula C5H7BN2O3 Boiling Point 378.305 °C at 760 mmHg
Molecular Weight 153.933 Flash Point 182.593 °C
Transport Information N/A Appearance N/A
Safety 26-39-36/37/39 Risk Codes 36-41-36/37/38
Molecular Structure Molecular Structure of 628692-15-9 (2-Methoxypyrimidine-5-boronic acid) Hazard Symbols IrritantXi
Synonyms

2-Methoxyl-5-pyrimidineboric acid;2-Methoxypyrimidin-5-ylboronic acid;2-Methoxy-5-pyrimidineboronic acid;(2-Methoxypyrimidin-5-yl)boronic acid;

Article Data 4

2-Methoxypyrimidine-5-boronic acid Specification

The 2-Methoxypyrimidine-5-boronic acid, with the CAS registry number 628692-15-9, is also known as 2-Methoxy-5-pyrimidineboronic acid. It belongs to the product categories of Boronic acid; Organoborons; Pyrimidine. This chemical's molecular formula is C5H7BN2O3 and molecular weight is 153.93. What's more, its systematic name is (2-methoxypyrimidin-5-yl)boronic acid. It is an organic reagent, and is also used as a pharmaceutical intermediate.

Physical properties of 2-Methoxypyrimidine-5-boronic acid are: (1)# of Rule of 5 Violations: 0; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 1; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 5; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 4; (9)Polar Surface Area: 75.47 Å2; (10)Index of Refraction: 1.523; (11)Molar Refractivity: 35.251 cm3; (12)Molar Volume: 115.32 cm3; (13)Polarizability: 13.974×10-24cm3; (14)Surface Tension: 60.354 dyne/cm; (15)Density: 1.335 g/cm3; (16)Flash Point: 182.593 °C; (17)Enthalpy of Vaporization: 66.055 kJ/mol; (18)Boiling Point: 378.305 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1cnc(nc1)OC)(O)O
(2)Std. InChI: InChI=1S/C5H7BN2O3/c1-11-5-7-2-4(3-8-5)6(9)10/h2-3,9-10H,1H3
(3)Std. InChIKey: YPWAJLGHACDYQS-UHFFFAOYSA-N

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