2-amino-5-fluorobenzaldehyde

• ChemBase ID: 803582
• Molecular Formular: C7H6FNO
• Molecular Mass: 139.1270432
• Monoisotopic Mass: 139.04334204
• SMILES: c1(c(ccc(c1)F)N)C=O
• Canonical SMILES: O=Cc1cc(F)ccc1N
• InChI: InChI=1S/C7H6FNO/c8-6-1-2-7(9)5(3-6)4-10/h1-4H,9H2
• InChIKey: SGCVNTNJULWFDC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-5-fluorobenzaldehyde
• IUPAC Traditional name: 2-amino-5-fluorobenzaldehyde
• Synonyms: 2-AMINO-5-FLUOROBENZALDEHYDE

Database IDs

• CAS Number: 146829-56-3

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.6493901
• LogD (pH = 7.4): 1.6495224
• Log P: 1.6495241
• Molar Refractivity: 37.5588 cm^3
• Polarizability: 13.069045 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%