Cas no 77894-09-8 ([1,1'-Biphenyl]-3-aceticacid, 4'-chloro-2-methoxy-)

[1,1'-Biphenyl]-3-aceticacid, 4'-chloro-2-methoxy- structure
77894-09-8 structure
Product Name:[1,1'-Biphenyl]-3-aceticacid, 4'-chloro-2-methoxy-
CAS No:77894-09-8
MF:C15H13ClO3
MW:276.714923620224
CID:564282
PubChem ID:53807
Update Time:2025-04-19

[1,1'-Biphenyl]-3-aceticacid, 4'-chloro-2-methoxy- Chemical and Physical Properties

Names and Identifiers

    • [1,1'-Biphenyl]-3-aceticacid, 4'-chloro-2-methoxy-
    • 4'-Chloro-2-methoxy-
    • 2-[3-(4-chlorophenyl)-2-methoxyphenyl]acetic acid
    • CHEMBL6864
    • BRN 5051044
    • 4'-Chloro-2-methoxy-(1,1'-biphenyl)-3-acetic acid
    • DTXSID30228513
    • 77894-09-8
    • 3-BIPHENYLACETIC ACID, 4'-CHLORO-2-METHOXY-
    • (1,1'-Biphenyl)-3-acetic acid, 4'-chloro-2-methoxy-
    • 4'-Chloro-2-methoxy-3-biphenylacetic acid
    • Inchi： 1S/C15H13ClO3/c1-19-15-11(9-14(17)18)3-2-4-13(15)10-5-7-12(16)8-6-10/h2-8H,9H2,1H3,(H,17,18)
    • InChI Key： JVGIKDMRIDPNHJ-UHFFFAOYSA-N
    • SMILES： ClC1C=CC(=CC=1)C1=CC=CC(CC(=O)O)=C1OC

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: 399.7°C at 760 mmHg
  • Flash Point: 195.5°C
  • Refractive Index: 1.589
  • PSA: 46.53

[1,1'-Biphenyl]-3-aceticacid, 4'-chloro-2-methoxy- Related Literature

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