2-(3-methoxyphenoxy)acetyl chloride

• ChemBase ID: 56823
• Molecular Formular: C9H9ClO3
• Molecular Mass: 200.61896
• Monoisotopic Mass: 200.02402183
• SMILES: C(=O)(COc1cc(OC)ccc1)Cl
• Canonical SMILES: COc1cccc(c1)OCC(=O)Cl
• InChI: InChI=1S/C9H9ClO3/c1-12-7-3-2-4-8(5-7)13-6-9(10)11/h2-5H,6H2,1H3
• InChIKey: TVVBVERHHKVWFG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-methoxyphenoxy)acetyl chloride
• IUPAC Traditional name: 2-(3-methoxyphenoxy)acetyl chloride
• Synonyms: (3-Methoxyphenoxy)acetyl chloride

Database IDs

• CAS Number: 106967-74-2
• MDL Number: MFCD02295750
• PubChem SID: 162061586
• PubChem CID: 13612584

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.6692163
• LogD (pH = 7.4): 1.6692163
• Log P: 1.6692163
• Molar Refractivity: 48.9275 cm^3
• Polarizability: 19.19604 Å^3
• Polar Surface Area: 35.53 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.26

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%