2,2,3-tribromopropanal

• ChemBase ID: 294915
• Molecular Formular: C3H3Br3O
• Molecular Mass: 294.76732
• Monoisotopic Mass: 291.77340072
• SMILES: BrCC(Br)(Br)C=O
• Canonical SMILES: BrCC(C=O)(Br)Br
• InChI: InChI=1S/C3H3Br3O/c4-1-3(5,6)2-7/h2H,1H2
• InChIKey: BEWGXCJZMNOBIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3-tribromopropanal
• IUPAC Traditional name: 2,2,3-tribromopropanal
• Synonyms: 2,2,3-Tribromopropanal

Database IDs

• CAS Number: 26944-17-2
• PubChem SID: 180680446
• PubChem CID: 93108

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.8162607
• LogD (pH = 7.4): 1.8162607
• Log P: 1.8162607
• Molar Refractivity: 39.7434 cm^3
• Polarizability: 15.688501 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%