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Boronic acid,B-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenyl]-

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Name

Boronic acid,B-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenyl]-

EINECS N/A
CAS No. 850568-68-2 Density 1.22 g/cm3
PSA 62.05000 LogP -1.03110
Solubility N/A Melting Point 180-182 °C
Formula C10H12BNO3 Boiling Point 402.8 °C at 760 mmHg
Molecular Weight 205.02 Flash Point 197.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 850568-68-2 (2-(4-BORONOBENZENE)-5,6-DIHYDRO-4H-1,3-OXAZINE) Hazard Symbols IrritantXi
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;

 

Boronic acid,B-[4-(5,6-dihydro-4H-1,3-oxazin-2-yl)phenyl]- 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

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