Cas no 254746-40-2 (methyl 4-bromo-3-(hydroxymethyl)benzoate)

methyl 4-bromo-3-(hydroxymethyl)benzoate structure
254746-40-2 structure
Product Name:methyl 4-bromo-3-(hydroxymethyl)benzoate
CAS No:254746-40-2
MF:C9H9BrO3
MW:245.069962263107
MDL:MFCD15527255
CID:2101497
PubChem ID:22574933
Update Time:2025-04-21

methyl 4-bromo-3-(hydroxymethyl)benzoate Chemical and Physical Properties

Names and Identifiers

    • methyl 4-bromo-3-(hydroxymethyl)benzoate
    • YOIIBAQYFWZDPX-UHFFFAOYSA-N
    • MFCD15527255
    • CS-16410
    • SCHEMBL2310555
    • EN300-2942832
    • METHYL4-BROMO-3-(HYDROXYMETHYL)BENZOATE
    • CS-0097067
    • DA-07640
    • D75829
    • 254746-40-2
    • AKOS027441631
    • 849-462-2
    • MDL: MFCD15527255
    • Inchi: 1S/C9H9BrO3/c1-13-9(12)6-2-3-8(10)7(4-6)5-11/h2-4,11H,5H2,1H3
    • InChI Key: YOIIBAQYFWZDPX-UHFFFAOYSA-N
    • SMILES: BrC1=CC=C(C(=O)OC)C=C1CO

Computed Properties

  • Exact Mass: 243.97351g/mol
  • Monoisotopic Mass: 243.97351g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 184
  • 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
  • XLogP3: 1.6
  • Topological Polar Surface Area: 46.5?2

methyl 4-bromo-3-(hydroxymethyl)benzoate Pricemore >>

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