Cas no 57500-53-5 (2-Thiophenecarboxaldehyde, 4-nitro- (6CI,7CI,9CI))

2-Thiophenecarboxaldehyde, 4-nitro- (6CI,7CI,9CI) structure
57500-53-5 structure
Product Name:2-Thiophenecarboxaldehyde, 4-nitro- (6CI,7CI,9CI)
CAS No:57500-53-5
MF:C5H3NO3S
MW:157.147219896317
CID:947129
PubChem ID:818857
Update Time:2025-04-19

2-Thiophenecarboxaldehyde, 4-nitro- (6CI,7CI,9CI) Chemical and Physical Properties

Names and Identifiers

    • 2-Thiophenecarboxaldehyde, 4-nitro- (6CI,7CI,9CI)
    • 2-Thiophenecarboxaldehyde, 4-nitro-
    • 4-nitrothiophene-2-carbaldehyde
    • SCHEMBL4094818
    • AKOS006279900
    • 4-nitro-2-thiophenecarboxaldehyde
    • D83395
    • BS-51010
    • DB-282682
    • 57500-53-5
    • 4-Nitro-thiophene-2-carbaldehyde
    • MFCD01859813
    • YVNHJYYUGAEESI-UHFFFAOYSA-N
    • 4-nitrothiophene-2-carboxaldehyde
    • CS-0008649
    • Inchi: 1S/C5H3NO3S/c7-2-5-1-4(3-10-5)6(8)9/h1-3H
    • InChI Key: YVNHJYYUGAEESI-UHFFFAOYSA-N
    • SMILES: S1C=C(C=C1C=O)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 156.98300
  • Monoisotopic Mass: 156.98336413g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 2
  • Complexity: 156
  • 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: 1.2
  • Topological Polar Surface Area: 91.1?2

Experimental Properties

  • PSA: 91.13000
  • LogP: 1.99200

2-Thiophenecarboxaldehyde, 4-nitro- (6CI,7CI,9CI) Pricemore >>

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2-Thiophenecarboxaldehyde, 4-nitro- (6CI,7CI,9CI) Production Method

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