Cas no 1131594-66-5 (3-Bromo-4-((4-methylbenzyl)amino)benzoic acid)

3-Bromo-4-((4-methylbenzyl)amino)benzoic acid structure
1131594-66-5 structure
Product Name:3-Bromo-4-((4-methylbenzyl)amino)benzoic acid
CAS No:1131594-66-5
MF:C15H14BrNO2
MW:320.181163311005
MDL:MFCD11110934
CID:1030423
PubChem ID:45072161
Update Time:2025-04-20

3-Bromo-4-((4-methylbenzyl)amino)benzoic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Bromo-4-((4-methylbenzyl)amino)benzoic acid
    • 3-bromo-4-[(4-methylphenyl)methylamino]benzoic acid
    • 3-Bromo-4-((4-methylbenzyl)amino)benzoicacid
    • 3-Bromo-4-{[(4-methylphenyl)methyl]amino}benzoic acid
    • 1131594-66-5
    • DTXSID00662425
    • DB-366108
    • 3-bromo-4-(4-methylbenzylamino)benzoic acid
    • AKOS015842527
    • MDL: MFCD11110934
    • Inchi: 1S/C15H14BrNO2/c1-10-2-4-11(5-3-10)9-17-14-7-6-12(15(18)19)8-13(14)16/h2-8,17H,9H2,1H3,(H,18,19)
    • InChI Key: IPJUQIXPBVGUAY-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C(=O)O)C=CC=1NCC1C=CC(C)=CC=1

Computed Properties

  • Exact Mass: 319.021
  • Monoisotopic Mass: 319.021
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 4
  • Complexity: 303
  • 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: 49.3A^2
  • XLogP3: 4

3-Bromo-4-((4-methylbenzyl)amino)benzoic acid Pricemore >>

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