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851199-85-4

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Basic Information
CAS No.: 851199-85-4
Name: PYRIMIDIN-2-YLBORONIC ACID
Article Data: 2
Molecular Structure:
Molecular Structure of 851199-85-4 (PYRIMIDIN-2-YLBORONIC ACID)
Formula: C4H5BN2O2
Molecular Weight: 123.907
Synonyms: Pyrimidine-2-boronic acid;
Density: 1.335 g/cm3
Boiling Point: 371.416 °C at 760 mmHg
Flash Point: 178.426 °C
PSA: 66.24000
LogP: -1.84360
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Specification

The Boronic acid,B-2-pyrimidinyl-, with the CAS registry number 851199-85-4, is also known as Pyrimidine-2-boronic acid. This chemical's molecular formula is C4H5BN2O2 and molecular weight is 123.91. What's more, its systematic name is called Pyrimidin-2-ylboronic acid.

Physical properties about Boronic acid,B-2-pyrimidinyl- are: (1)ACD/LogP: 0.02; (2)#of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 14; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 66.24 Å2; (11)Index of Refraction: 1.535; (12)Molar Refractivity: 28.886 cm3; (13)Molar Volume: 92.825 cm3; (14)Surface Tension: 64.256 dyne/cm; (15)Density: 1.335 g/cm3; (16)Flash Point: 178.426 °C; (17)Enthalpy of Vaporization: 65.244 kJ/mol; (18)Boiling Point: 371.416 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: OB(O)c1ncccn1
(2) InChI: InChI=1/C4H5BN2O2/c8-5(9)4-6-2-1-3-7-4/h1-3,8-9H
(3) InChIKey: FXJZOUPFQNMFOR-UHFFFAOYAG