Cas no 501944-55-4 (CARBAMIC ACID, (4'-BROMO[1,1'-BIPHENYL]-4-YL)-, 1,1-DIMETHYLETHYL ESTER)

CARBAMIC ACID, (4'-BROMO[1,1'-BIPHENYL]-4-YL)-, 1,1-DIMETHYLETHYL ESTER structure
501944-55-4 structure
Product Name:CARBAMIC ACID, (4'-BROMO[1,1'-BIPHENYL]-4-YL)-, 1,1-DIMETHYLETHYL ESTER
CAS No:501944-55-4
MF:C17H18BrNO2
MW:348.234323978424
CID:3405218
PubChem ID:59610534
Update Time:2025-04-21

CARBAMIC ACID, (4'-BROMO[1,1'-BIPHENYL]-4-YL)-, 1,1-DIMETHYLETHYL ESTER Chemical and Physical Properties

Names and Identifiers

    • CARBAMIC ACID, (4'-BROMO[1,1'-BIPHENYL]-4-YL)-, 1,1-DIMETHYLETHYL ESTER
    • Carbamic acid, N-(4'-bromo[1,1'-biphenyl]-4-yl)-, 1,1-dimethylethyl ester
    • 501944-55-4
    • SCHEMBL206442
    • Tert-butyl (4'-bromo-[1,1'-biphenyl]-4-yl)carbamate
    • 4-bromo-4'-t-butoxycarbonylaminobiphenyl
    • (4'-Bromo-biphenyl-4-yl)-carbamic acid tert-butyl ester
    • DB-173422
    • UVHZNPCAEJGKDP-UHFFFAOYSA-N
    • Inchi: 1S/C17H18BrNO2/c1-17(2,3)21-16(20)19-15-10-6-13(7-11-15)12-4-8-14(18)9-5-12/h4-11H,1-3H3,(H,19,20)
    • InChI Key: UVHZNPCAEJGKDP-UHFFFAOYSA-N
    • SMILES: C(OC(C)(C)C)(=O)NC1=CC=C(C2=CC=C(Br)C=C2)C=C1

Computed Properties

  • Exact Mass: 347.05209Da
  • Monoisotopic Mass: 347.05209Da
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 4
  • Complexity: 337
  • 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: 38.3?2
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