Cas no 1340341-80-1 (5-Isoxazolecarboxylic acid, 3-(3-fluoro-4-methylphenyl)-)

5-Isoxazolecarboxylic acid, 3-(3-fluoro-4-methylphenyl)- structure
1340341-80-1 structure
Product Name:5-Isoxazolecarboxylic acid, 3-(3-fluoro-4-methylphenyl)-
CAS No:1340341-80-1
MF:C11H8FNO3
MW:221.184526443481
CID:5250707
Update Time:2023-08-26

5-Isoxazolecarboxylic acid, 3-(3-fluoro-4-methylphenyl)- Chemical and Physical Properties

Names and Identifiers

    • 5-Isoxazolecarboxylic acid, 3-(3-fluoro-4-methylphenyl)-
    • 3-(3-fluoro-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
    • Inchi: 1S/C11H8FNO3/c1-6-2-3-7(4-8(6)12)9-5-10(11(14)15)16-13-9/h2-5H,1H3,(H,14,15)
    • InChI Key: IEVSWEYQZAJDHC-UHFFFAOYSA-N
    • SMILES: FC1C=C(C=CC=1C)C1C=C(C(=O)O)ON=1

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 2
  • Complexity: 274
  • XLogP3: 2.4
  • Topological Polar Surface Area: 63.3

5-Isoxazolecarboxylic acid, 3-(3-fluoro-4-methylphenyl)- Pricemore >>

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