Cas no 89123-64-8 (2-bromocyclopropane-1-carboxylic acid)

2-bromocyclopropane-1-carboxylic acid structure
89123-64-8 structure
Product Name:2-bromocyclopropane-1-carboxylic acid
CAS No:89123-64-8
MF:C4H5BrO2
MW:164.985300779343
MDL:MFCD20632124
CID:733920
PubChem ID:317448
Update Time:2025-04-19

2-bromocyclopropane-1-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • Cyclopropanecarboxylicacid, 2-bromo-
    • 2-bromocyclopropane-1-carboxylic acid
    • 2-Bromo-cyclopropanecarboxylic acid
    • 89123-64-8
    • NSC249248
    • DTXSID00312054
    • EN300-217906
    • 2-bromocyclopropanecarboxylic
    • rac-(1R,2S)-2-bromocyclopropane-1-carboxylic acid, trans
    • 2-Bromocyclopropanecarboxylic acid
    • SCHEMBL1766802
    • NSC-249248
    • MDL: MFCD20632124
    • Inchi: 1S/C4H5BrO2/c5-3-1-2(3)4(6)7/h2-3H,1H2,(H,6,7)
    • InChI Key: VKKVGTCMSVLBCD-UHFFFAOYSA-N
    • SMILES: BrC1CC1C(=O)O

Computed Properties

  • Exact Mass: 163.947
  • Monoisotopic Mass: 163.947
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 1
  • Complexity: 102
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.7
  • Topological Polar Surface Area: 37.3?2

Experimental Properties

  • Density: 2.066
  • Boiling Point: 265.1°Cat760mmHg
  • Flash Point: 114.1°C
  • Refractive Index: 1.611

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