Cas no 77894-16-7 ([1,1'-Biphenyl]-4-aceticacid, 4'-chloro-2-methoxy-)

[1,1'-Biphenyl]-4-aceticacid, 4'-chloro-2-methoxy- structure
77894-16-7 structure
Product Name:[1,1'-Biphenyl]-4-aceticacid, 4'-chloro-2-methoxy-
CAS No:77894-16-7
MF:C15H13ClO3
MW:276.714923620224
CID:565096
PubChem ID:53814
Update Time:2025-04-19

[1,1'-Biphenyl]-4-aceticacid, 4'-chloro-2-methoxy- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-4-aceticacid, 4'-chloro-2-methoxy-
    • 2-[4-(4-chlorophenyl)-3-methoxyphenyl]acetic acid
    • 4'-Chloro-6-methoxy-4-biphenylacetic acid
    • (1,1'-Biphenyl)-4-acetic acid, 4'-chloro-2-methoxy-
    • 4-BIPHENYLACETIC ACID, 4'-CHLORO-6-METHOXY-
    • 4'-Chloro-2-methoxy-(1,1'-biphenyl)-4-acetic acid
    • AC1L1FOU
    • AG-H-12285
    • BRN 5052428
    • CHEMBL7288
    • DTXSID00228520
    • SCHEMBL11363872
    • 77894-16-7
    • Inchi: 1S/C15H13ClO3/c1-19-14-8-10(9-15(17)18)2-7-13(14)11-3-5-12(16)6-4-11/h2-8H,9H2,1H3,(H,17,18)
    • InChI Key: KCDIBJVGCJHBGU-UHFFFAOYSA-N
    • SMILES: ClC1C=CC(=CC=1)C1C=CC(CC(=O)O)=CC=1OC

Computed Properties

  • Exact Mass: 276.05539
  • Monoisotopic Mass: 276.055322
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 300
  • 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
  • Topological Polar Surface Area: 46.5
  • XLogP3: 3.6

Experimental Properties

  • Density: 1.268
  • Boiling Point: 414.7°C at 760 mmHg
  • Flash Point: 204.6°C
  • Refractive Index: 1.589
  • PSA: 46.53
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