Cas no 103978-33-2 ([1,1'-Biphenyl]-4-carboxylicacid, 2'-fluoro-5'-nitro-)

[1,1'-Biphenyl]-4-carboxylicacid, 2'-fluoro-5'-nitro- structure
103978-33-2 structure
Product Name:[1,1'-Biphenyl]-4-carboxylicacid, 2'-fluoro-5'-nitro-
CAS No:103978-33-2
MF:C13H8FNO4
MW:261.205327033997
CID:125964
PubChem ID:13732853
Update Time:2025-04-18

[1,1'-Biphenyl]-4-carboxylicacid, 2'-fluoro-5'-nitro- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-carboxylicacid, 2'-fluoro-5'-nitro-
    • 4-(2-Chloro-4-nitrophenyl)benzoic acid
    • 4-(2-fluoro-5-nitrophenyl)benzoic acid
    • [1,1'-Biphenyl]-4-carboxylicacid,2'-fluoro-5'-nitro
    • 4-(2-Chloro-5-nitrophenyl)benzoic acid
    • 4-(2-Fluoro-5-nitrophenyl)-benzoic acid
    • 4-(3-Chloro-5-nitrophenyl)benzoic acid
    • 4-(3-Fluoro-5-nitrophenyl)benzoic acid
    • 4-(4-Chloro-2-nitrophenyl)benzoic acid
    • 4-(4-Fluoro-2-nitrophenyl)benzoic acid
    • 4-(4-Fluoro-3-nitrophenyl)benzoic acid
    • 4-(5-Fluoro-2-nitrophenyl)benzoic acid
    • EN300-842853
    • 2'-Fluoro-5'-nitro[1,1'-biphenyl]-4-carboxylic acid
    • 103978-33-2
    • SCHEMBL9568330
    • DTXSID80547867
    • Inchi： 1S/C13H8FNO4/c14-12-6-5-10(15(18)19)7-11(12)8-1-3-9(4-2-8)13(16)17/h1-7H,(H,16,17)
    • InChI Key： GQTUIFCLGQHDPR-UHFFFAOYSA-N
    • SMILES： FC1=CC=C(C=C1C1C=CC(C(=O)O)=CC=1)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 277.01400
  • Monoisotopic Mass: 261.04373590g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 349
  • 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
  • Topological Polar Surface Area: 83.1?2

Experimental Properties

  • PSA: 83.12000
  • LogP: 4.13660

[1,1'-Biphenyl]-4-carboxylicacid, 2'-fluoro-5'-nitro- Pricemore >>

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Enamine
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EN300-842853-0.5g
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Enamine
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