Cas no 408492-29-5 (3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzoic acid methyl ester)

3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzoic acid methyl ester structure
408492-29-5 structure
Product Name:3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzoic acid methyl ester
CAS No:408492-29-5
MF:C14H18BClO4
MW:296.554323673248
MDL:MFCD11846464
CID:1004651
PubChem ID:56973098
Update Time:2025-04-20

3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzoic acid methyl ester Chemical and Physical Properties

Names and Identifiers

    • Benzoic acid, 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-,methyl ester
    • Methyl 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)be nzoate
    • 2-(3-chloro-propionylamino)-benzoic acid methyl ester
    • 2-(3-Chlorpropionamido)benzoesaeuremethylester
    • 2-(3-Cl-5-(MeO2C)C6H3)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
    • 3-chloro-5-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzoic acid methyl ester
    • methyl 2-(3-chloropropanamido)benzoate
    • methyl 2-[(3-chloropropanoyl)amino]benzoate
    • 3-Chloro-5-methoxycarbonyl-phenyl-boronic acid pinacol ester
    • 408492-29-5
    • EN300-336134
    • (3-Chloro-5-(methoxycarbonyl)phenyl)boronic acid pinacol ester
    • SCHEMBL1437728
    • SB37091
    • methyl 3-chloro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
    • methyl3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
    • DB-262222
    • MFCD11846464
    • CS-0175350
    • AKOS024462439
    • methyl 3-chloro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate
    • Z2044772587
    • AS-42876
    • OUPWIYDRPYRHNT-UHFFFAOYSA-N
    • 3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzoic acid methyl ester
    • MDL: MFCD11846464
    • Inchi: 1S/C14H18BClO4/c1-13(2)14(3,4)20-15(19-13)10-6-9(12(17)18-5)7-11(16)8-10/h6-8H,1-5H3
    • InChI Key: OUPWIYDRPYRHNT-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C(=O)OC)C=C(B2OC(C)(C)C(C)(C)O2)C=1

Computed Properties

  • Exact Mass: 296.09900
  • Monoisotopic Mass: 296.0986669g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 369
  • 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: 44.8?2

Experimental Properties

  • PSA: 44.76000
  • LogP: 2.42580

3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzoic acid methyl ester Pricemore >>

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3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzoic acid methyl ester Production Method

3-Chloro-5-(4,4,5,5-tetramethyl-1,3,2dioxaborolan-2-yl)-benzoic acid methyl ester Related Literature

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