Cas no 1218790-35-2 (3-Bromo-5-butoxyphenylboronic acid, pinacol ester)

3-Bromo-5-butoxyphenylboronic acid, pinacol ester structure
1218790-35-2 structure
Product Name:3-Bromo-5-butoxyphenylboronic acid, pinacol ester
CAS No:1218790-35-2
MF:C16H24BBrO3
MW:355.074964523315
MDL:MFCD12546590
CID:857677
PubChem ID:46739684
Update Time:2025-04-19

3-Bromo-5-butoxyphenylboronic acid, pinacol ester Chemical and Physical Properties

Names and Identifiers

    • 3-BROMO-5-BUTOXYPHENYLBORONIC ACID, PINACOL ESTER
    • 2-(3-Bromo-5-butoxyphenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 3-Bromo-5-butoxyphenylboronic acid pinacol ester
    • 1,3,2-Dioxaborolane, 2-(3-bromo-5-butoxyphenyl)-4,4,5,5-tetramethyl-
    • MFCD12546590
    • C16H24BBrO3
    • BS-21162
    • CS-0175933
    • 1218790-35-2
    • DB-366193
    • AKOS015999353
    • E90733
    • DTXSID20675274
    • 3-Bromo-5-butoxyphenylboronic acid,pinacol ester
    • 3-Bromo-5-butoxyphenylboronic acid, pinacol ester
    • MDL: MFCD12546590
    • Inchi: 1S/C16H24BBrO3/c1-6-7-8-19-14-10-12(9-13(18)11-14)17-20-15(2,3)16(4,5)21-17/h9-11H,6-8H2,1-5H3
    • InChI Key: KXZBSOUMYLRMPM-UHFFFAOYSA-N
    • SMILES: BrC1C=C(C=C(B2OC(C)(C)C(C)(C)O2)C=1)OCCCC

Computed Properties

  • Exact Mass: 354.10000
  • Monoisotopic Mass: 354.10019g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 332
  • 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: 27.7?2

Experimental Properties

  • PSA: 27.69000
  • LogP: 3.92720

3-Bromo-5-butoxyphenylboronic acid, pinacol ester 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%

3-Bromo-5-butoxyphenylboronic acid, pinacol ester Pricemore >>

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