2-(4-chloro-6-methylpyrimidin-2-yl)phenol

• ChemBase ID: 310663
• Molecular Formular: C11H9ClN2O
• Molecular Mass: 220.65496
• Monoisotopic Mass: 220.0403406
• SMILES: c1(nc(cc(n1)C)Cl)c1c(O)cccc1
• Canonical SMILES: Cc1cc(Cl)nc(n1)c1ccccc1O
• InChI: InChI=1S/C11H9ClN2O/c1-7-6-10(12)14-11(13-7)8-4-2-3-5-9(8)15/h2-6,15H,1H3
• InChIKey: SSJTVFAVNGBQDX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-chloro-6-methylpyrimidin-2-yl)phenol
• IUPAC Traditional name: 2-(4-chloro-6-methylpyrimidin-2-yl)phenol
• Synonyms: 2-(4-chloro-6-methylpyrimidin-2-yl)phenol

Database IDs

• CAS Number: 172902-25-9
• MDL Number: MFCD00476688

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 3.1699634
• LogD (pH = 7.4): 2.82199
• Log P: 3.1769276
• Molar Refractivity: 70.5719 cm^3
• Polarizability: 23.118202 Å^3
• Polar Surface Area: 46.01 Å^2