Cas no 653579-68-1 (1-Naphthalenecarboxaldehyde, 2-bromo-6-methoxy-7-(phenylmethoxy)-)

1-Naphthalenecarboxaldehyde, 2-bromo-6-methoxy-7-(phenylmethoxy)- structure
653579-68-1 structure
Product Name:1-Naphthalenecarboxaldehyde, 2-bromo-6-methoxy-7-(phenylmethoxy)-
CAS No:653579-68-1
MF:C19H15BrO3
MW:371.224604845047
CID:400251
PubChem ID:71376117
Update Time:2025-04-19

1-Naphthalenecarboxaldehyde, 2-bromo-6-methoxy-7-(phenylmethoxy)- Chemical and Physical Properties

Names and Identifiers

    • 1-Naphthalenecarboxaldehyde, 2-bromo-6-methoxy-7-(phenylmethoxy)-
    • 2-bromo-6-methoxy-7-phenylmethoxynaphthalene-1-carbaldehyde
    • 7-(Benzyloxy)-2-bromo-6-methoxynaphthalene-1-carbaldehyde
    • 653579-68-1
    • DTXSID20798836
    • Inchi: 1S/C19H15BrO3/c1-22-18-9-14-7-8-17(20)16(11-21)15(14)10-19(18)23-12-13-5-3-2-4-6-13/h2-11H,12H2,1H3
    • InChI Key: QBDJFFKDCFSPKD-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=CC(=C(C=C2C=1C=O)OCC1C=CC=CC=1)OC

Computed Properties

  • Exact Mass: 370.02045
  • Monoisotopic Mass: 370.02046g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 23
  • Rotatable Bond Count: 5
  • Complexity: 383
  • 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: 4.8
  • Topological Polar Surface Area: 35.5?2

Experimental Properties

  • PSA: 35.53
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