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874297-85-5

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Basic Information
CAS No.: 874297-85-5
Name: 1-(FURAN-2-YLMETHYL)-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA
Molecular Structure:
Molecular Structure of 874297-85-5 (1-(FURAN-2-YLMETHYL)-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA)
Formula: C18H23BN2O4
Molecular Weight: 342.2
Synonyms: 1-(FURAN-2-YLMETHYL)-3-[4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)PHENYL]UREA;4-(3-FURYLUREIDO)PHENYLBORONIC ACID, PINACOL ESTER;4-(3-Furfurylureido)benzeneboronic acid, pinacol ester;4-{[(Furan-2-ylmethyl)carbamoyl]amino}benzeneboronic acid, pinacol ester;4-(3-Furfurylureido)phenylboronic acid, pinacol ester;4-{[(Furan-2-ylmethyl)carbamoyl]amino}benzeneboronic acid, pinacol ester 98%
Density: 1.17 g/cm3
Boiling Point: 463.7 °C at 760 mmHg
Flash Point: 234.2 °C
Hazard Symbols: IrritantXi
PSA: 72.73000
LogP: 3.36440
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Specification

The Urea,N-(2-furanylmethyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- is an organic compound with the formula C18H23BN2O4. The systematic name of this chemical is 1-(2-furylmethyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. With the CAS registry number 874297-85-5, it is also named as 1-(Furan-2-ylmethyl)-3-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea. The product's categories are Blocks; BoronicAcids.

Physical properties about Urea,N-(2-furanylmethyl)-N'-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]- are: (1)#H bond acceptors: 6; (2)#H bond donors: 2; (3)#Freely Rotating Bonds: 4; (4)Polar Surface Area: 72.73 Å2; (5)Index of Refraction: 1.553; (6)Molar Refractivity: 93.32 cm3; (7)Molar Volume: 291.2 cm3; (8)Polarizability: 36.99×10-24cm3; (9)Surface Tension: 44.1 dyne/cm; (10)Density: 1.17 g/cm3; (11)Flash Point: 234.2 °C; (12)Enthalpy of Vaporization: 72.49 kJ/mol; (13)Boiling Point: 463.7 °C at 760 mmHg; (14)Vapour Pressure: 8.93E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: B1(OC(C(O1)(C)C)(C)C)c2ccc(cc2)NC(=O)NCc3ccco3
(2)InChI: InChI=1/C18H23BN2O4/c1-17(2)18(3,4)25-19(24-17)13-7-9-14(10-8-13)21-16(22)20-12-15-6-5-11-23-15/h5-11H,12H2,1-4H3,(H2,20,21,22)
(3)InChIKey: DNWAWLFDNMFNSM-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C18H23BN2O4/c1-17(2)18(3,4)25-19(24-17)13-7-9-14(10-8-13)21-16(22)20-12-15-6-5-11-23-15/h5-11H,12H2,1-4H3,(H2,20,21,22)
(5)Std. InChIKey: DNWAWLFDNMFNSM-UHFFFAOYSA-N