4-(chloromethyl)-1,3-oxazole hydrochloride

• ChemBase ID: 288390
• Molecular Formular: C4H5Cl2NO
• Molecular Mass: 153.9946
• Monoisotopic Mass: 152.97481915
• SMILES: Cl.ClCc1cocn1
• Canonical SMILES: ClCc1cocn1.Cl
• InChI: InChI=1S/C4H4ClNO.ClH/c5-1-4-2-7-3-6-4;/h2-3H,1H2;1H
• InChIKey: YRZLGIRPSNYMNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(chloromethyl)-1,3-oxazole hydrochloride
• IUPAC Traditional name: 4-(chloromethyl)-1,3-oxazole hydrochloride
• Synonyms: 4-(Chloromethyl)oxazole hydrochloride

Database IDs

• CAS Number: 675149-75-4
• PubChem SID: 180673921
• PubChem CID: 23076469

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.5838502
• LogD (pH = 7.4): 0.58385116
• Log P: 0.58385116
• Molar Refractivity: 26.1121 cm^3
• Polarizability: 10.077577 Å^3
• Polar Surface Area: 26.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%