2,4-dibromobenzaldehyde

• ChemBase ID: 291654
• Molecular Formular: C7H4Br2O
• Molecular Mass: 263.91406
• Monoisotopic Mass: 261.86288875
• SMILES: O=Cc1ccc(Br)cc1Br
• Canonical SMILES: O=Cc1ccc(cc1Br)Br
• InChI: InChI=1S/C7H4Br2O/c8-6-2-1-5(4-10)7(9)3-6/h1-4H
• InChIKey: PGSVNTIDEZRNES-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,4-dibromobenzaldehyde
• IUPAC Traditional name: 2,4-dibromobenzaldehyde
• Synonyms: 2,4-Dibromobenzaldehyde

Database IDs

• CAS Number: 5629-98-1
• MDL Number: MFCD13185489
• PubChem SID: 180677185
• PubChem CID: 621611

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.2232535
• LogD (pH = 7.4): 3.2232535
• Log P: 3.2232535
• Molar Refractivity: 47.8876 cm^3
• Polarizability: 18.15471 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%; 98%