Cas no 1022151-52-5 (tert-butyl N-(6-bromoquinolin-3-yl)carbamate)

tert-butyl N-(6-bromoquinolin-3-yl)carbamate structure
1022151-52-5 structure
Product Name:tert-butyl N-(6-bromoquinolin-3-yl)carbamate
CAS No:1022151-52-5
MF:C14H15BrN2O2
MW:323.185102701187
MDL:MFCD27665107
CID:4568205
PubChem ID:57911005
Update Time:2024-11-06

tert-butyl N-(6-bromoquinolin-3-yl)carbamate Chemical and Physical Properties

Names and Identifiers

    • TERT-BUTYL (6-BROMOQUINOLIN-3-YL)CARBAMATE
    • tert-butyl N-(6-bromoquinolin-3-yl)carbamate
    • DB-404769
    • SCHEMBL4071391
    • 1022151-52-5
    • (6-bromo-quinolin-3-yl)-carbamic acid tert-butyl ester
    • EN300-12737387
    • F74650
    • MFCD27665107
    • LGKPPAHHVVYFQW-UHFFFAOYSA-N
    • MDL: MFCD27665107
    • Inchi: 1S/C14H15BrN2O2/c1-14(2,3)19-13(18)17-11-7-9-6-10(15)4-5-12(9)16-8-11/h4-8H,1-3H3,(H,17,18)
    • InChI Key: LGKPPAHHVVYFQW-UHFFFAOYSA-N
    • SMILES: C(OC(C)(C)C)(=O)NC1=CC2C(N=C1)=CC=C(Br)C=2

Computed Properties

  • Exact Mass: 322.03169g/mol
  • Monoisotopic Mass: 322.03169g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 3
  • Complexity: 330
  • 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
  • Molecular Weight: 323.18g/mol
  • XLogP3: 4
  • Topological Polar Surface Area: 51.2?2

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