3,5-dibromo-2-fluorobenzaldehyde

• ChemBase ID: 93406
• Molecular Formular: C7H3Br2FO
• Molecular Mass: 281.9045232
• Monoisotopic Mass: 279.85346694
• SMILES: O=Cc1c(c(cc(c1)Br)Br)F
• Canonical SMILES: O=Cc1cc(Br)cc(c1F)Br
• InChI: InChI=1S/C7H3Br2FO/c8-5-1-4(3-11)7(10)6(9)2-5/h1-3H
• InChIKey: UZLJTDXCWOCFJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dibromo-2-fluorobenzaldehyde
• IUPAC Traditional name: 3,5-dibromo-2-fluorobenzaldehyde
• Synonyms: 3,5-dibromo-2-fluorobenzaldehyde

Database IDs

• MDL Number: MFCD03094096
• PubChem SID: 162080091
• PubChem CID: 2773968

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 3.3659554
• LogD (pH = 7.4): 3.3659554
• Log P: 3.3659554
• Molar Refractivity: 48.104 cm^3
• Polarizability: 18.10525 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant