Cas no 52783-66-1 (3-Bromo-5-hydroxy-4-methoxybenzoic acid)

3-Bromo-5-hydroxy-4-methoxybenzoic acid structure
52783-66-1 structure
Product Name:3-Bromo-5-hydroxy-4-methoxybenzoic acid
CAS No:52783-66-1
MF:C8H7BrO4
MW:247.042782068253
MDL:MFCD23701476
CID:358812
PubChem ID:12928010
Update Time:2025-04-19

3-Bromo-5-hydroxy-4-methoxybenzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-5-hydroxy-4-methoxybenzoic acid
    • 3-Bromo-5-hydroxy-4-methoxybenzoic
    • AGN-PC-00K4KP
    • AK107632
    • Benzoic acid, 3-bromo-5-hydroxy-4-methoxy-
    • CHEMBL89826
    • CTK1G2059
    • MolPort-022-398-160
    • XKPMZMJYQDNWDG-UHFFFAOYSA-
    • 3-bromo-5-hydroxy-4-methoxy benzoic acid
    • 7464AB
    • BDBM50405314
    • FCH2329295
    • 3-Bromo-4-methoxy-5-hydroxybenzoic acid
    • AX8240638
    • ST24041918
    • FT-0699465
    • MFCD23701476
    • 52783-66-1
    • CS-0041474
    • DTXSID10513191
    • 3-Bromo-5-hydroxy-4-methoxybenzoicacid
    • CCA78366
    • F19875
    • DS-3704
    • InChI=1/C8H7BrO4/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,10H,1H3,(H,11,12)
    • AKOS016009196
    • DB-366223
    • MDL: MFCD23701476
    • Inchi: 1S/C8H7BrO4/c1-13-7-5(9)2-4(8(11)12)3-6(7)10/h2-3,10H,1H3,(H,11,12)
    • InChI Key: XKPMZMJYQDNWDG-UHFFFAOYSA-N
    • SMILES: BrC1=CC(C(=O)O)=CC(=C1OC)O

Computed Properties

  • Exact Mass: 245.95271
  • Monoisotopic Mass: 245.95277g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 2
  • Complexity: 197
  • 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: 66.8
  • XLogP3: 1.8

Experimental Properties

  • PSA: 66.76

3-Bromo-5-hydroxy-4-methoxybenzoic acid Security Information

3-Bromo-5-hydroxy-4-methoxybenzoic acid Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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