Cas no 94133-65-0 (9-Phenanthrenecarboxylicacid, 1,3-dichloro-6-(trifluoromethyl)-, methyl ester)

9-Phenanthrenecarboxylicacid, 1,3-dichloro-6-(trifluoromethyl)-, methyl ester structure
94133-65-0 structure
Product Name:9-Phenanthrenecarboxylicacid, 1,3-dichloro-6-(trifluoromethyl)-, methyl ester
CAS No:94133-65-0
MF:C17H9Cl2F3O2
MW:373.153373479843
CID:817456
PubChem ID:44148886
Update Time:2025-04-19

9-Phenanthrenecarboxylicacid, 1,3-dichloro-6-(trifluoromethyl)-, methyl ester Chemical and Physical Properties

Names and Identifiers

    • 9-Phenanthrenecarboxylicacid, 1,3-dichloro-6-(trifluoromethyl)-, methyl ester
    • methyl 1,3-dichloro-6-(trifluoromethyl)phenanthren-9-carboxylate
    • methyl 1,3-dichloro-6-(trifluoromethyl)phenanthrene-9-carboxylate
    • RMS9L2C68R
    • 94133-65-0
    • DTXSID30240674
    • 9-Phenanthrenecarboxylic acid, 1,3-dichloro-6-(trifluoromethyl)-, methyl ester 9-Phenanthrenecarboxylic acid, 1,3-dichloro-6-(trifluoromethyl)-, methyl ester
    • NS00040098
    • Methyl 1,3-dichloro-6-(trifluoromethyl)-9-phenanthrenecarboxylate
    • EINECS 302-727-1
    • Inchi: 1S/C17H9Cl2F3O2/c1-24-16(23)14-7-13-12(5-9(18)6-15(13)19)11-4-8(17(20,21)22)2-3-10(11)14/h2-7H,1H3
    • InChI Key: AIKJZSWXLMBBJK-UHFFFAOYSA-N
    • SMILES: ClC1=CC(=CC2C1=CC(C(=O)OC)=C1C=CC(C(F)(F)F)=CC1=2)Cl

Computed Properties

  • Exact Mass: 371.9931694g/mol
  • Monoisotopic Mass: 371.9931694g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 2
  • Complexity: 485
  • 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: 6.4
  • Topological Polar Surface Area: 26.3?2
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