(2R)-1-chloropropan-2-ol

• ChemBase ID: 293869
• Molecular Formular: C3H7ClO
• Molecular Mass: 94.54008
• Monoisotopic Mass: 94.01854252
• SMILES: C[C@@H](O)CCl
• Canonical SMILES: C[C@H](CCl)O
• InChI: InChI=1S/C3H7ClO/c1-3(5)2-4/h3,5H,2H2,1H3/t3-/m1/s1
• InChIKey: YYTSGNJTASLUOY-GSVOUGTGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-1-chloropropan-2-ol
• IUPAC Traditional name: (2R)-1-chloropropan-2-ol
• Synonyms: (R)-1-Chloropropan-2-ol

Database IDs

• CAS Number: 19141-39-0
• PubChem SID: 180679400
• PubChem CID: 6999046

CALCULATED PROPERTIES

• Polar Surface Area: 20.23 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• Acid pKa: 14.702879
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5624878
• LogD (pH = 7.4): 0.5624878
• Log P: 0.5624878
• Molar Refractivity: 22.0234 cm^3
• Polarizability: 8.754634 Å^3

PROPERTIES

Product Information

• Purity: 95+%