Cas no 56961-92-3 (1,4-Naphthalenedione, 6-chloro-)

1,4-Naphthalenedione, 6-chloro- structure
56961-92-3 structure
Product Name:1,4-Naphthalenedione, 6-chloro-
CAS No:56961-92-3
MF:C10H5ClO2
MW:192.5985019207
CID:347229
PubChem ID:12634002
Update Time:2025-04-19

1,4-Naphthalenedione, 6-chloro- Chemical and Physical Properties

Names and Identifiers

    • 1,4-Naphthalenedione, 6-chloro-
    • 6-chloronaphthalene-1,4-dione
    • DTXSID30505119
    • SCHEMBL8773134
    • 56961-92-3
    • AKOS006373107
    • Inchi: 1S/C10H5ClO2/c11-6-1-2-7-8(5-6)10(13)4-3-9(7)12/h1-5H
    • InChI Key: IUSVMAFWJQCDHC-UHFFFAOYSA-N
    • SMILES: ClC1=CC=C2C(C=CC(C2=C1)=O)=O

Computed Properties

  • Exact Mass: 191.99785
  • Monoisotopic Mass: 191.9978071g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 0
  • Complexity: 283
  • 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: 2.3
  • Topological Polar Surface Area: 34.1?2

Experimental Properties

  • PSA: 34.14
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