Cas no 869496-62-8 (5-Isoxazolecarboxaldehyde,3-(3-bromophenyl)-)

5-Isoxazolecarboxaldehyde,3-(3-bromophenyl)- structure
869496-62-8 structure
Product Name:5-Isoxazolecarboxaldehyde,3-(3-bromophenyl)-
CAS No:869496-62-8
MF:C10H6BrNO2
MW:252.064141750336
CID:719042
PubChem ID:16728285
Update Time:2025-04-19

5-Isoxazolecarboxaldehyde,3-(3-bromophenyl)- Chemical and Physical Properties

Names and Identifiers

    • 5-Isoxazolecarboxaldehyde,3-(3-bromophenyl)-
    • 3-(3-bromophenyl)-1,2-oxazole-5-carbaldehyde
    • 3-(3-Bromo-phenyl)-isoxazole-5-carbaldehyde
    • 3-(3-BROMOPHENYL)ISOXAZOLE-5-CARBALDEHYDE,
    • 5-Isoxazolecarboxaldehyde,3-(3-bromophenyl)
    • 3-(3-Bromophenyl)isoxazole-5-carbaldehyde
    • EN300-380581
    • FT-0702295
    • DTXSID30587415
    • AB27262
    • 5-Isoxazolecarboxaldehyde, 3-(3-bromophenyl)-
    • A862968
    • 869496-62-8
    • DB-076789
    • Inchi: 1S/C10H6BrNO2/c11-8-3-1-2-7(4-8)10-5-9(6-13)14-12-10/h1-6H
    • InChI Key: IJRDQYJFADPHNO-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC(=C1)C1C=C(C=O)ON=1

Computed Properties

  • Exact Mass: 250.95800
  • Monoisotopic Mass: 250.95819g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 1
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 212
  • 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: 2.5
  • Topological Polar Surface Area: 43.1?2

Experimental Properties

  • PSA: 43.10000
  • LogP: 2.91660

5-Isoxazolecarboxaldehyde,3-(3-bromophenyl)- Customs Data

  • HS CODE:2934999090
  • Customs Data:

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-Isoxazolecarboxaldehyde,3-(3-bromophenyl)- Pricemore >>

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