2-chloropyrimidine hydrochloride

• ChemBase ID: 294263
• Molecular Formular: C4H4Cl2N2
• Molecular Mass: 150.99396
• Monoisotopic Mass: 149.9751535
• SMILES: Clc1ncccn1.Cl
• Canonical SMILES: Clc1ncccn1.Cl
• InChI: InChI=1S/C4H3ClN2.ClH/c5-4-6-2-1-3-7-4;/h1-3H;1H
• InChIKey: JEBKAQDPMGBQBP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloropyrimidine hydrochloride
• IUPAC Traditional name: pyrimidine, 2-chloro- hydrochloride
• Synonyms: 2-Chloropyrimidine hydrochloride

Database IDs

• CAS Number: 77722-80-6
• MDL Number: MFCD00797974
• PubChem SID: 180679794
• PubChem CID: 20285825

CALCULATED PROPERTIES

• LogD (pH = 5.5): 0.9582857
• LogD (pH = 7.4): 0.9582858
• Log P: 0.9582858
• Molar Refractivity: 28.2209 cm^3
• Polarizability: 10.574802 Å^3
• Polar Surface Area: 25.78 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 0

PROPERTIES

Product Information

• Purity: 95+%