5-(benzyloxy)-2,4-dichloropyrimidine

• ChemBase ID: 288960
• Molecular Formular: C11H8Cl2N2O
• Molecular Mass: 255.10002
• Monoisotopic Mass: 254.00136825
• SMILES: Clc1nc(Cl)ncc1OCc1ccccc1
• Canonical SMILES: Clc1ncc(c(n1)Cl)OCc1ccccc1
• InChI: InChI=1S/C11H8Cl2N2O/c12-10-9(6-14-11(13)15-10)16-7-8-4-2-1-3-5-8/h1-6H,7H2
• InChIKey: HICKLOUBWJHHFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(benzyloxy)-2,4-dichloropyrimidine
• IUPAC Traditional name: 5-(benzyloxy)-2,4-dichloropyrimidine
• Synonyms: 5-(Benzyloxy)-2,4-dichloropyrimidine

Database IDs

• CAS Number: 91183-17-4
• MDL Number: MFCD16658924
• PubChem SID: 180674491
• PubChem CID: 49853480

CALCULATED PROPERTIES

• LogD (pH = 5.5): 3.3493094
• LogD (pH = 7.4): 3.3493094
• Log P: 3.3493094
• Molar Refractivity: 65.1628 cm^3
• Polarizability: 24.642046 Å^3
• Polar Surface Area: 35.01 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• H Acceptors: 3
• H Donor: 0

PROPERTIES

Product Information

• Purity: 95+%