Cas no 1285516-22-4 (2-(2-Methoxybenzyloxy)-5-bromobenzoic acid)

2-(2-Methoxybenzyloxy)-5-bromobenzoic acid structure
1285516-22-4 structure
Product Name:2-(2-Methoxybenzyloxy)-5-bromobenzoic acid
CAS No:1285516-22-4
MF:C15H13BrO4
MW:337.165323972702
CID:2112009
Update Time:2023-08-04

2-(2-Methoxybenzyloxy)-5-bromobenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 2-(2-methoxybenzyloxy)-5-bromobenzoic acid
    • YNWCCXZSGGJVQF-UHFFFAOYSA-N
    • Benzoic acid, 5-bromo-2-[(2-methoxyphenyl)methoxy]-
    • 5-Bromo-2-({[2-(methyloxy)phenyl]methyl}oxy)benzoic acid
    • 2-(2-Methoxybenzyloxy)-5-bromobenzoic acid
    • Inchi: 1S/C15H13BrO4/c1-19-13-5-3-2-4-10(13)9-20-14-7-6-11(16)8-12(14)15(17)18/h2-8H,9H2,1H3,(H,17,18)
    • InChI Key: YNWCCXZSGGJVQF-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=C(C(=O)O)C=1)OCC1C=CC=CC=1OC

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 5
  • Complexity: 323
  • Topological Polar Surface Area: 55.8
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