Cas no 288579-82-8 (1H-Benzimidazole-6-carboxaldehyde,2-chloro-)

1H-Benzimidazole-6-carboxaldehyde,2-chloro- structure
288579-82-8 structure
Product Name:1H-Benzimidazole-6-carboxaldehyde,2-chloro-
CAS No:288579-82-8
MF:C8H5ClN2O
MW:180.59110045433
CID:248938
PubChem ID:45077932
Update Time:2025-04-19

1H-Benzimidazole-6-carboxaldehyde,2-chloro- Chemical and Physical Properties

Names and Identifiers

    • 1H-Benzimidazole-6-carboxaldehyde,2-chloro-
    • 1H-Benzimidazole-5-carboxaldehyde,2-chloro-(9CI)
    • 2-chloro-1H-Benzimidazole-6-carboxaldehyde
    • 1H-BenziMidazole-6-carboxaldehyde,2-chloro
    • 2-CHLORO-1H-BENZIMIDAZOLE-5-CARBOXALDEHYDE
    • 5-formyl-2-chlorobenzimidazole
    • AKOS006307842
    • 2-chloro-3H-benzimidazole-5-carbaldehyde
    • 288579-82-8
    • 2-chloro-1H-benzo[d]imidazole-5-carbaldehyde
    • Inchi: 1S/C8H5ClN2O/c9-8-10-6-2-1-5(4-12)3-7(6)11-8/h1-4H,(H,10,11)
    • InChI Key: QPXXRJYHWOQUFS-UHFFFAOYSA-N
    • SMILES: ClC1=NC2C=CC(C=O)=CC=2N1

Computed Properties

  • Exact Mass: 180.00900
  • Monoisotopic Mass: 180.0090405g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 188
  • 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
  • Topological Polar Surface Area: 45.8?2

Experimental Properties

  • PSA: 45.75000
  • LogP: 2.02880

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