Cas no 1256479-70-5 (Benzeneacetaldehyde, 3-chloro-2,6-difluoro-)

Benzeneacetaldehyde, 3-chloro-2,6-difluoro- structure
1256479-70-5 structure
Product Name:Benzeneacetaldehyde, 3-chloro-2,6-difluoro-
CAS No:1256479-70-5
MF:C8H5ClF2O
MW:190.574508428574
CID:6451179
PubChem ID:55274754
Update Time:2024-03-01

Benzeneacetaldehyde, 3-chloro-2,6-difluoro- Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetaldehyde, 3-chloro-2,6-difluoro-
    • 2-(3-Chloro-2,6-difluorophenyl)acetaldehyde
    • Inchi: 1S/C8H5ClF2O/c9-6-1-2-7(10)5(3-4-12)8(6)11/h1-2,4H,3H2
    • InChI Key: PITZVTYVEPDLQR-UHFFFAOYSA-N
    • SMILES: C1(CC=O)=C(F)C=CC(Cl)=C1F

Computed Properties

  • Exact Mass: 189.9996988g/mol
  • Monoisotopic Mass: 189.9996988g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 165
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.1
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • Density: 1.361±0.06 g/cm3(Predicted)
  • Boiling Point: 231.0±35.0 °C(Predicted)

Benzeneacetaldehyde, 3-chloro-2,6-difluoro- Pricemore >>

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