phenyl N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate

• ChemBase ID: 298598
• Molecular Formular: C19H22BNO4
• Molecular Mass: 339.19328
• Monoisotopic Mass: 339.16418859
• SMILES: B1(OC(C(O1)(C)C)(C)C)c1ccc(cc1)NC(=O)Oc1ccccc1
• Canonical SMILES: O=C(Oc1ccccc1)Nc1ccc(cc1)B1OC(C(O1)(C)C)(C)C
• InChI: InChI=1S/C19H22BNO4/c1-18(2)19(3,4)25-20(24-18)14-10-12-15(13-11-14)21-17(22)23-16-8-6-5-7-9-16/h5-13H,1-4H3,(H,21,22)
• InChIKey: JTURKCDVNAXKIF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: phenyl N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
• IUPAC Traditional name: phenyl N-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamate
• Synonyms: [4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]carbamic acid phenyl ester; 4-(Phenoxycarbonylamino)benzeneboronic acid pinacol ester; 4-(苯氧基甲酰基胺基)苯硼酸频哪酯

Database IDs

• MDL Number: MFCD20527213
• PubChem SID: 180684129
• PubChem CID: 58885831

CALCULATED PROPERTIES

• Acid pKa: 12.455804
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 5.5329
• LogD (pH = 7.4): 5.532896
• Log P: 5.5329
• Molar Refractivity: 91.9773 cm^3
• Polarizability: 37.29843 Å^3
• Polar Surface Area: 56.79 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Safety Information

• TSCA Listed: 否

Product Information

• Purity: 95%