[2-(morpholin-4-yl)phenyl]boronic acid

• ChemBase ID: 813275
• Molecular Formular: C10H14BNO3
• Molecular Mass: 207.03406
• Monoisotopic Mass: 207.10667371
• SMILES: B(O)(O)c1c(cccc1)N1CCOCC1
• Canonical SMILES: OB(c1ccccc1N1CCOCC1)O
• InChI: InChI=1S/C10H14BNO3/c13-11(14)9-3-1-2-4-10(9)12-5-7-15-8-6-12/h1-4,13-14H,5-8H2
• InChIKey: ICRHNMKDEVGGGH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(morpholin-4-yl)phenyl]boronic acid
• IUPAC Traditional name: 2-(morpholin-4-yl)phenylboronic acid
• Synonyms: 2-(MORPHOLINO)PHENYLBORONIC ACID

Database IDs

• CAS Number: 933052-52-9

CALCULATED PROPERTIES

• Acid pKa: 8.8140545
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 1.5613903
• LogD (pH = 7.4): 1.5452633
• Log P: 1.5616
• Molar Refractivity: 54.1066 cm^3
• Polarizability: 22.006916 Å^3
• Polar Surface Area: 52.93 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%