4-(pyridin-2-yloxy)benzoyl chloride

• ChemBase ID: 92850
• Molecular Formular: C12H8ClNO2
• Molecular Mass: 233.65042
• Monoisotopic Mass: 233.02435618
• SMILES: n1c(cccc1)Oc1ccc(cc1)C(=O)Cl
• Canonical SMILES: ClC(=O)c1ccc(cc1)Oc1ccccn1
• InChI: InChI=1S/C12H8ClNO2/c13-12(15)9-4-6-10(7-5-9)16-11-3-1-2-8-14-11/h1-8H
• InChIKey: RUXGFQOJMJJPND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(pyridin-2-yloxy)benzoyl chloride
• IUPAC Traditional name: 4-(pyridin-2-yloxy)benzoyl chloride
• Synonyms: 4-(pyrid-2-yloxy)benzoyl chloride; 4-(Pyridin-2-yloxy)benzoyl chloride 97%

Database IDs

• CAS Number: 51363-01-0
• MDL Number: MFCD08435898
• PubChem SID: 162079548
• PubChem CID: 21494428

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 3.0411139
• LogD (pH = 7.4): 3.0412292
• Log P: 3.0412307
• Molar Refractivity: 61.5701 cm^3
• Polarizability: 23.515059 Å^3
• Polar Surface Area: 39.19 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 79.5-80.5°C

Safety Information

• Storage Warning: Corrosive

Product Information

• Purity: 97%