(S)-5-fluoro-3-methylisobenzofuran-1(3H)-one

Base Information

• Chemical Name: (S)-5-fluoro-3-methylisobenzofuran-1(3H)-one
• CAS No.: 1803573-19-4
• Molecular Formula: C9H7FO2
• Molecular Weight: 166.15
• European Community (EC) Number: 943-180-4
• DSSTox Substance ID: DTXSID601021067

Synonyms:(S)-5-fluoro-3-methylisobenzofuran-1(3H)-one;1803573-19-4;(3S)-5-fluoro-3-methyl-3H-2-benzofuran-1-one;SCHEMBL24223347;DTXSID601021067;AMY25499;WS-01050;C92544;1(3H)-Isobenzofuranone, 5-fluoro-3-methyl-, (3S)-

Chemical Property of (S)-5-fluoro-3-methylisobenzofuran-1(3H)-one

Chemical Property:

• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 166.04300762
• Heavy Atom Count: 12
• Complexity: 205

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1C2=C(C=CC(=C2)F)C(=O)O1
• Isomeric SMILES: C[C@H]1C2=C(C=CC(=C2)F)C(=O)O1
• Uses: (S)-5-fluoro-3-methylisobenzofuran-1(3H)-one is the key chiral intermediate of Lorlatinib (Lorlatinib, PF-06463922).

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