Name: 2-(4-BORONOBENZENE)-5,6-DIHYDRO-4H-1,3-OXAZINE
SKU: 850568-68-2

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Basic Information

Molecular Structure:
CAS No.:	850568-68-2
Name:	2-(4-BORONOBENZENE)-5,6-DIHYDRO-4H-1,3-OXAZINE

Formula:	C₁₀H₁₂BNO₃
Molecular Weight:	205.02
Synonyms:	Boronicacid, [4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenyl]- (9CI);[4-(5,6-Dihydro-4H-1,3-oxazin-2-yl)phenyl]boronic acid;2-(4-Boronobenzene)-5,6-dihydro-4H-1,3-oxazine;2-(4-Boronophenyl)-5,6-dihydro-4H-1,3-oxazine;
Density:	1.22 g/cm³
Melting Point:	180-182 °C
Boiling Point:	402.8 °C at 760 mmHg
Flash Point:	197.4 °C
Hazard Symbols:	Xi
PSA:	62.05000
LogP:	-1.03110

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Specification

The Boronic acid,B-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenyl]-, with the CAS registry number 850568-68-2, is also known as 2-(4-Boronobenzene)-5,6-dihydro-4H-1,3-oxazine. It belongs to the product categories of Blocks; BoronicAcids; Heterocycles. This chemical's molecular formula is C₁₀H₁₂BNO₃ and molecular weight is 205.02. What's more, its systematic name is [4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenyl]boronic acid.

Physical properties of Boronic acid,B-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenyl]- are: (1)ACD/LogP: 1.61; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.41; (4)ACD/LogD (pH 7.4): 1.56; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Polar Surface Area: 62.05 Å²; (9)Index of Refraction: 1.565; (10)Molar Refractivity: 54.51 cm³; (11)Molar Volume: 167.2 cm³; (12)Polarizability: 21.61×10^-24cm³; (13)Surface Tension: 45 dyne/cm; (14)Density: 1.22 g/cm³; (15)Flash Point: 197.4 °C; (16)Enthalpy of Vaporization: 68.96 kJ/mol; (17)Boiling Point: 402.8 °C at 760 mmHg; (18)Vapour Pressure: 3.28E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B(c1ccc(cc1)C2=NCCCO2)(O)O
(2)InChI: InChI=1S/C10H12BNO3/c13-11(14)9-4-2-8(3-5-9)10-12-6-1-7-15-10/h2-5,13-14H,1,6-7H2
(3)InChIKey: OASSAUSIPZASKK-UHFFFAOYSA-N