Cas no 38492-84-1 (1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde)

1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde structure
38492-84-1 structure
Product Name:1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde
CAS No:38492-84-1
MF:C16H7Cl2F3O
MW:343.127393007278
CID:923576
PubChem ID:631177
Update Time:2025-04-19

1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde Chemical and Physical Properties

Names and Identifiers

    • 1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carboxaldehyde
    • 1,3-dichloro-6-(trifluoromethyl)phenanthrene-9-carbaldehyde
    • EINECS 253-972-5
    • DTXSID90191815
    • 9-Phenanthrenecarboxaldehyde, 1,3-dichloro-6-(trifluoromethyl)-
    • 1,3-Dichloro-6-(trifluoromethyl)-9-phenanthrenecarbaldehyde #
    • 38492-84-1
    • 92M0HG0WF5
    • NS00057150
    • 1,3-Dichloro-6-trifluoromethyl-9-phenanthrenecarboxaldehyde
    • UNII-92M0HG0WF5
    • SCHEMBL8652241
    • 1,3-Dichloro-6-(trifluoromethyl)-9-phenanthrenecarbaldehyde
    • 1,3-DICHLORO-6-(TRIFLUOROMETHYL)-9-PHENANTHRENECARBOXALDEHYDE
    • Inchi: 1S/C16H7Cl2F3O/c17-10-5-13-12-4-9(16(19,20)21)1-2-11(12)8(7-22)3-14(13)15(18)6-10/h1-7H
    • InChI Key: ZBUKGLLJDMRAAF-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=CC2C1=CC(C=O)=C1C=CC(C(F)(F)F)=CC=21)Cl

Computed Properties

  • Exact Mass: 341.98271
  • Monoisotopic Mass: 341.9826047g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 1
  • Complexity: 428
  • 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: 6
  • Topological Polar Surface Area: 17.1?2

Experimental Properties

  • PSA: 17.07
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