5-chloro-2-fluorobenzene-1-carboximidamide

• ChemBase ID: 799599
• Molecular Formular: C7H6ClFN2
• Molecular Mass: 172.5873432
• Monoisotopic Mass: 172.0203541
• SMILES: c1(c(ccc(c1)Cl)F)C(=N)N
• Canonical SMILES: Clc1ccc(c(c1)C(=N)N)F
• InChI: InChI=1S/C7H6ClFN2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,(H3,10,11)
• InChIKey: SROQEVHFERCATR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-chloro-2-fluorobenzene-1-carboximidamide
• IUPAC Traditional name: 5-chloro-2-fluorobenzenecarboximidamide
• Synonyms: 5-chloro-2-fluorobenzimidamide

Database IDs

• CAS Number: 674793-32-9

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.7453811
• LogD (pH = 7.4): 0.03716207
• Log P: 1.6404608
• Molar Refractivity: 52.7517 cm^3
• Polarizability: 15.625516 Å^3
• Polar Surface Area: 49.87 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%