Cas no 151979-21-4 (Benzoic acid, 5-iodo-2-(methylamino)-)

Benzoic acid, 5-iodo-2-(methylamino)- structure
151979-21-4 structure
Product Name:Benzoic acid, 5-iodo-2-(methylamino)-
CAS No:151979-21-4
MF:C8H8INO2
MW:277.059094429016
MDL:MFCD20040109
CID:1325206
PubChem ID:22281867
Update Time:2025-04-20

Benzoic acid, 5-iodo-2-(methylamino)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 5-iodo-2-(methylamino)-
    • 5-iodo-2-(methylamino)benzoic acid
    • DTXSID00624306
    • DB-296161
    • 5-iodo-2-methylamino-benzoic acid
    • 5-iodo-N-methylanthranilic acid
    • SCHEMBL2384775
    • NPSFEYVICGGCLT-UHFFFAOYSA-N
    • 151979-21-4
    • MDL: MFCD20040109
    • Inchi: 1S/C8H8INO2/c1-10-7-3-2-5(9)4-6(7)8(11)12/h2-4,10H,1H3,(H,11,12)
    • InChI Key: NPSFEYVICGGCLT-UHFFFAOYSA-N
    • SMILES: IC1C=CC(=C(C(=O)O)C=1)NC

Computed Properties

  • Exact Mass: 276.95954
  • Monoisotopic Mass: 276.95998g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 2
  • Complexity: 174
  • 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: 2.7
  • Topological Polar Surface Area: 49.3?2

Experimental Properties

  • PSA: 49.33

Benzoic acid, 5-iodo-2-(methylamino)- Pricemore >>

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