4-fluoro-2,3-dimethylbenzaldehyde

• ChemBase ID: 292005
• Molecular Formular: C9H9FO
• Molecular Mass: 152.1655632
• Monoisotopic Mass: 152.06374313
• SMILES: O=Cc1ccc(F)c(C)c1C
• Canonical SMILES: O=Cc1ccc(c(c1C)C)F
• InChI: InChI=1S/C9H9FO/c1-6-7(2)9(10)4-3-8(6)5-11/h3-5H,1-2H3
• InChIKey: HAOCRTBODSLMGD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoro-2,3-dimethylbenzaldehyde
• IUPAC Traditional name: 4-fluoro-2,3-dimethylbenzaldehyde
• Synonyms: 4-Fluoro-2,3-dimethylbenzaldehyde

Database IDs

• CAS Number: 363134-37-6
• MDL Number: MFCD16295095
• PubChem SID: 180677536
• PubChem CID: 12040712

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.8552928
• LogD (pH = 7.4): 2.8552928
• Log P: 2.8552928
• Molar Refractivity: 42.9408 cm^3
• Polarizability: 15.418602 Å^3
• Polar Surface Area: 17.07 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%