4-chlorofuro[2,3-d]pyrimidine

• ChemBase ID: 64626
• Molecular Formular: C6H3ClN2O
• Molecular Mass: 154.55382
• Monoisotopic Mass: 153.99339041
• SMILES: c1nc(c2c(n1)occ2)Cl
• Canonical SMILES: Clc1ncnc2c1cco2
• InChI: InChI=1S/C6H3ClN2O/c7-5-4-1-2-10-6(4)9-3-8-5/h1-3H
• InChIKey: RXNNSCCBHMRHIX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-chlorofuro[2,3-d]pyrimidine
• IUPAC Traditional name: 4-chlorofuro[2,3-d]pyrimidine
• Synonyms: 4-Chlorofuro[2,3-d]pyrimidine

Database IDs

• CAS Number: 918340-51-9
• MDL Number: MFCD09834941
• PubChem SID: 162030365
• PubChem CID: 44558543

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.4005427
• LogD (pH = 7.4): 1.4005427
• Log P: 1.4005427
• Molar Refractivity: 37.3821 cm^3
• Polarizability: 14.26121 Å^3
• Polar Surface Area: 38.92 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%