(2-bromo-5-fluorophenyl)methanamine hydrochloride

• ChemBase ID: 99604
• Molecular Formular: C7H8BrClFN
• Molecular Mass: 240.5005232
• Monoisotopic Mass: 238.95126716
• SMILES: NCc1c(ccc(c1)F)Br.Cl
• Canonical SMILES: NCc1cc(F)ccc1Br.Cl
• InChI: InChI=1S/C7H7BrFN.ClH/c8-7-2-1-6(9)3-5(7)4-10;/h1-3H,4,10H2;1H
• InChIKey: FCNDYXZLZMHWKI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromo-5-fluorophenyl)methanamine hydrochloride
• IUPAC Traditional name: (2-bromo-5-fluorophenyl)methanamine hydrochloride
• Synonyms: 2-Bromo-5-fluorobenzylamine hydrochloride; (2-bromo-5-fluorophenyl)methanamine hydrochloride

Database IDs

• CAS Number: 202865-67-6
• MDL Number: MFCD00142877
• PubChem SID: 162085867
• PubChem CID: 2773356

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.919487
• LogD (pH = 7.4): 0.31760377
• Log P: 2.0104687
• Molar Refractivity: 42.3706 cm^3
• Polarizability: 16.250097 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.1

Safety Information

• Storage Warning: Irritant

Product Information

• Purity: 95%