[(4-fluorophenyl)(methoxy)methylidene]azanylium chloride

• ChemBase ID: 802425
• Molecular Formular: C8H7ClFNO
• Molecular Mass: 187.5986832
• Monoisotopic Mass: 187.02001975
• SMILES: C(=[N+])(OC)c1ccc(cc1)F.[Cl-]
• Canonical SMILES: COC(=[N+])c1ccc(cc1)F.[Cl-]
• InChI: InChI=1S/C8H7FNO.ClH/c1-11-8(10)6-2-4-7(9)5-3-6;/h2-5H,1H3;1H/q+1;/p-1
• InChIKey: MYSPSLGCUVKOEP-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: [(4-fluorophenyl)(methoxy)methylidene]azanylium chloride
• IUPAC Traditional name: [(4-fluorophenyl)(methoxy)methylidene]azanylium chloride
• Synonyms: (4-FLUOROPHENYL)(METHOXY)METHANIMINIUM CHLORIDE

Database IDs

• CAS Number: 56108-05-5

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.7453258
• LogD (pH = 7.4): 1.7453258
• Log P: 1.7453258
• Molar Refractivity: 38.5686 cm^3
• Polarizability: 14.782595 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%