Cas no 1806418-63-2 (Ethyl 2,6-dimethyl-3-fluorobenzoate)

Ethyl 2,6-dimethyl-3-fluorobenzoate structure
1806418-63-2 structure
Product Name:Ethyl 2,6-dimethyl-3-fluorobenzoate
CAS No:1806418-63-2
MF:C11H13FO2
MW:196.218127012253
CID:4794939
Update Time:2023-08-17

Ethyl 2,6-dimethyl-3-fluorobenzoate Chemical and Physical Properties

Names and Identifiers

    • Ethyl 2,6-dimethyl-3-fluorobenzoate
    • Inchi: 1S/C11H13FO2/c1-4-14-11(13)10-7(2)5-6-9(12)8(10)3/h5-6H,4H2,1-3H3
    • InChI Key: TWCOBTVSKQWOGO-UHFFFAOYSA-N
    • SMILES: FC1=CC=C(C)C(C(=O)OCC)=C1C

Computed Properties

  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 3
  • Complexity: 206
  • XLogP3: 3
  • Topological Polar Surface Area: 26.3

Ethyl 2,6-dimethyl-3-fluorobenzoate Pricemore >>

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