2-(benzyloxy)-5-bromobenzoyl chloride

• ChemBase ID: 56840
• Molecular Formular: C14H10BrClO2
• Molecular Mass: 325.585
• Monoisotopic Mass: 323.95526924
• SMILES: c1(cc(c(cc1)OCc1ccccc1)C(=O)Cl)Br
• Canonical SMILES: Brc1ccc(c(c1)C(=O)Cl)OCc1ccccc1
• InChI: InChI=1S/C14H10BrClO2/c15-11-6-7-13(12(8-11)14(16)17)18-9-10-4-2-1-3-5-10/h1-8H,9H2
• InChIKey: PLMYJXRFBVUZFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(benzyloxy)-5-bromobenzoyl chloride
• IUPAC Traditional name: 2-(benzyloxy)-5-bromobenzoyl chloride
• Synonyms: 2-(Benzyloxy)-5-bromobenzoyl chloride

Database IDs

• MDL Number: MFCD12197895
• PubChem SID: 162061603
• PubChem CID: 46779649

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.499713
• LogD (pH = 7.4): 4.499713
• Log P: 4.499713
• Molar Refractivity: 75.8713 cm^3
• Polarizability: 28.984415 Å^3
• Polar Surface Area: 26.3 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false