3-(3-fluorophenyl)aniline hydrochloride

• ChemBase ID: 93914
• Molecular Formular: C12H11ClFN
• Molecular Mass: 223.6738432
• Monoisotopic Mass: 223.05640526
• SMILES: Fc1cc(ccc1)c1cc(ccc1)N.Cl
• Canonical SMILES: Nc1cccc(c1)c1cccc(c1)F.Cl
• InChI: InChI=1S/C12H10FN.ClH/c13-11-5-1-3-9(7-11)10-4-2-6-12(14)8-10;/h1-8H,14H2;1H
• InChIKey: LNUWHWWGZKEETJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(3-fluorophenyl)aniline hydrochloride
• IUPAC Traditional name: 3-(3-fluorophenyl)aniline hydrochloride
• Synonyms: 3'-Fluoro-[1,1'-biphenyl]-3-amine hydrochloride; 3'--Fluoro-[1,1'-biphenyl]-3-amine hydrochloride

Database IDs

• CAS Number: 1210215-22-7
• MDL Number: MFCD08443612
• PubChem SID: 162080569
• PubChem CID: 44717285

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.9206545
• LogD (pH = 7.4): 2.9340734
• Log P: 2.9342473
• Molar Refractivity: 56.111 cm^3
• Polarizability: 22.097689 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95+%