2-bromo-3-fluorobenzaldehyde

• ChemBase ID: 99299
• Molecular Formular: C7H4BrFO
• Molecular Mass: 203.0084632
• Monoisotopic Mass: 201.94295497
• SMILES: O=Cc1c(c(ccc1)F)Br
• Canonical SMILES: O=Cc1cccc(c1Br)F
• InChI: InChI=1S/C7H4BrFO/c8-7-5(4-10)2-1-3-6(7)9/h1-4H
• InChIKey: CYJBMGYWRHGZBR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-3-fluorobenzaldehyde
• IUPAC Traditional name: 2-bromo-3-fluorobenzaldehyde
• Synonyms: 6-Fluoro-2-formylbromobenzene; 2-Bromo-3-fluorobenzaldehyde

Database IDs

• CAS Number: 891180-59-9
• MDL Number: MFCD07782044
• PubChem SID: 162085579
• PubChem CID: 24820504

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5972028
• LogD (pH = 7.4): 2.5972028
• Log P: 2.5972028
• Molar Refractivity: 40.4812 cm^3
• Polarizability: 14.929233 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant/Air Sensitive/Light Sensitive/Store under Argon

Product Information

• Purity: 95+%