Cas no 140635-79-6 (Benzoic acid, 4-amino-3,5-dibromo-, (3-methyl-3-oxetanyl)methyl ester)

Benzoic acid, 4-amino-3,5-dibromo-, (3-methyl-3-oxetanyl)methyl ester structure
140635-79-6 structure
Product Name:Benzoic acid, 4-amino-3,5-dibromo-, (3-methyl-3-oxetanyl)methyl ester
CAS No:140635-79-6
MF:C12H13Br2NO3
MW:379.044522047043
CID:1307471
Update Time:2024-08-04

Benzoic acid, 4-amino-3,5-dibromo-, (3-methyl-3-oxetanyl)methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 4-amino-3,5-dibromo-, (3-methyl-3-oxetanyl)methyl ester
    • Inchi: 1S/C12H13Br2NO3/c1-12(4-17-5-12)6-18-11(16)7-2-8(13)10(15)9(14)3-7/h2-3H,4-6,15H2,1H3
    • InChI Key: ANSWZGVJPVDRHG-UHFFFAOYSA-N
    • SMILES: C(OCC1(C)COC1)(=O)C1=CC(Br)=C(N)C(Br)=C1

Computed Properties

  • Exact Mass: 376.92619

Experimental Properties

  • Density: 1.735±0.06 g/cm3(Predicted)
  • Boiling Point: 441.3±40.0 °C(Predicted)
  • PSA: 61.55
  • pka: -1.84±0.10(Predicted)
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