2-amino-6-fluorobenzamide

• ChemBase ID: 10524
• Molecular Formular: C7H7FN2O
• Molecular Mass: 154.1416832
• Monoisotopic Mass: 154.05424107
• SMILES: c1ccc(c(c1F)C(=O)N)N
• Canonical SMILES: NC(=O)c1c(N)cccc1F
• InChI: InChI=1S/C7H7FN2O/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,9H2,(H2,10,11)
• InChIKey: REPZELLBLWMUAB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-6-fluorobenzamide
• IUPAC Traditional name: 2-amino-6-fluorobenzamide
• Synonyms: 2-Amino-6-fluorobenzamide

Database IDs

• CAS Number: 115643-59-9
• MDL Number: MFCD00816881
• PubChem SID: 160973831
• PubChem CID: 2778939

CALCULATED PROPERTIES

• Acid pKa: 13.252925
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.78754383
• LogD (pH = 7.4): 0.78766114
• Log P: 0.7876621
• Molar Refractivity: 40.0532 cm^3
• Polarizability: 14.050466 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115-118°C

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 95+%