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CAS No.: | 628692-15-9 |
---|---|
Name: | 2-Methoxypyrimidine-5-boronic acid |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C5H7BN2O3 |
Molecular Weight: | 153.933 |
Synonyms: | 2-Methoxyl-5-pyrimidineboric acid;2-Methoxypyrimidin-5-ylboronic acid;2-Methoxy-5-pyrimidineboronic acid;(2-Methoxypyrimidin-5-yl)boronic acid; |
EINECS: | 670-240-4 |
Density: | 1.335 g/cm3 |
Melting Point: | 161°C(lit.) |
Boiling Point: | 378.305 °C at 760 mmHg |
Flash Point: | 182.593 °C |
Hazard Symbols: | Xi |
Risk Codes: | 36-41-36/37/38 |
Safety: | 26-39-36/37/39 |
PSA: | 75.47000 |
LogP: | -1.83500 |
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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