5-amino-2-fluorobenzoyl chloride

• ChemBase ID: 98199
• Molecular Formular: C7H5ClFNO
• Molecular Mass: 173.5721032
• Monoisotopic Mass: 173.00436969
• SMILES: ClC(=O)c1c(ccc(c1)N)F
• Canonical SMILES: Nc1ccc(c(c1)C(=O)Cl)F
• InChI: InChI=1S/C7H5ClFNO/c8-7(11)5-3-4(10)1-2-6(5)9/h1-3H,10H2
• InChIKey: QNNYSTJVEUSVAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-amino-2-fluorobenzoyl chloride
• IUPAC Traditional name: 5-amino-2-fluorobenzoyl chloride
• Synonyms: 5-Amino-2-fluorobenzoyl chloride

Database IDs

• MDL Number: MFCD03094255
• PubChem SID: 162084652
• PubChem CID: 2737675

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.4776044
• LogD (pH = 7.4): 1.4779302
• Log P: 1.4779344
• Molar Refractivity: 42.0895 cm^3
• Polarizability: 15.011198 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive