Cas no 59950-52-6 (5-Bromo-2-(tert-butyl)-4-pyrimidinecarboxylic acid)

5-Bromo-2-(tert-butyl)-4-pyrimidinecarboxylic acid structure
59950-52-6 structure
Product Name:5-Bromo-2-(tert-butyl)-4-pyrimidinecarboxylic acid
CAS No:59950-52-6
MF:C9H11BrN2O2
MW:259.099841356277
MDL:MFCD11870586
CID:1034952
PubChem ID:12258914
Update Time:2025-04-20

5-Bromo-2-(tert-butyl)-4-pyrimidinecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 5-Bromo-2-(tert-butyl)pyrimidine-4-carboxylic acid
    • 5-bromo-2-tert-butyl-pyrimidine-4-carboxylic acid
    • 5-bromo-2-tert-butylpyrimidine-4-carboxylic acid
    • 5-bromo-2-(2-methylprop-2-yl)pyrimidine-4-carboxylic acid
    • 5-Bromo-2-(tert-butyl)-4-pyrimidinecarboxylic acid
    • QBCWSAPYKRVEIH-UHFFFAOYSA-N
    • SB59559
    • DA-37807
    • SCHEMBL2158930
    • DTXSID90482790
    • 5-Bromo-2-(tert-butyl)pyrimidine-4-carboxylicacid
    • 59950-52-6
    • MDL: MFCD11870586
    • Inchi: 1S/C9H11BrN2O2/c1-9(2,3)8-11-4-5(10)6(12-8)7(13)14/h4H,1-3H3,(H,13,14)
    • InChI Key: QBCWSAPYKRVEIH-UHFFFAOYSA-N
    • SMILES: BrC1C=NC(C(C)(C)C)=NC=1C(=O)O

Computed Properties

  • Exact Mass: 258.00000
  • Monoisotopic Mass: 258.00039g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 2
  • Complexity: 227
  • 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: 63.1?2

Experimental Properties

  • PSA: 63.08000
  • LogP: 2.23480

5-Bromo-2-(tert-butyl)-4-pyrimidinecarboxylic acid Customs Data

  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. 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, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

5-Bromo-2-(tert-butyl)-4-pyrimidinecarboxylic acid Pricemore >>

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