Cas no 2182-78-7 (Benzoic acid,4-(2-benzothiazolyl)-)

Benzoic acid,4-(2-benzothiazolyl)- structure
2182-78-7 structure
Product Name:Benzoic acid,4-(2-benzothiazolyl)-
CAS No:2182-78-7
MF:C14H9NO2S
MW:255.291762113571
CID:249946
PubChem ID:976678
Update Time:2025-04-19

Benzoic acid,4-(2-benzothiazolyl)- Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid,4-(2-benzothiazolyl)-
    • 2-(4-carboxyphenyl)benzothiazole
    • 4-BENZOTHIAZOL-2-YL-BENZOIC ACID
    • 2(4-carboxyphenyl)benzothiazole
    • 4-(benzothiazol-2-yl)benzoic acid
    • 4-< Benzothiazol-2-yl> -benzoesaeure
    • 4-Benzothiazol-2-yl-benzoesaeure
    • 4-benzothiazol-2-ylbenzoic Acid
    • AC1LJMW8
    • Ambcb7728491
    • CTK4E7741
    • HMS1591L05
    • SureCN505728
    • AKOS000104715
    • 4-(1,3-benzothiazol-2-yl)benzoic acid
    • 4-(benzo[d]thiazol-2-yl)benzoic acid
    • 4-(1, 3-benzothiazol-2-yl)benzoic acid
    • 2182-78-7
    • DTXSID00359626
    • PZLVNQBPCDMJFR-UHFFFAOYSA-N
    • BB 0244255
    • SCHEMBL505728
    • 4-(benzo[d]thiazol-2-yl)benzoicacid
    • MDL： MFCD04217331
    • Inchi： 1S/C14H9NO2S/c16-14(17)10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)18-13/h1-8H,(H,16,17)
    • InChI Key： PZLVNQBPCDMJFR-UHFFFAOYSA-N
    • SMILES： S1C2C=CC=CC=2N=C1C1C=CC(C(=O)O)=CC=1

Computed Properties

  • Exact Mass: 255.03547
  • Monoisotopic Mass: 255.035
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 2
  • Complexity: 315
  • 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: 3.8
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • PSA: 50.19

Benzoic acid,4-(2-benzothiazolyl)- Pricemore >>

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