Cas no 685902-48-1 (tert-butyl 5-formylnaphthalen-2-ylcarbamate)

tert-butyl 5-formylnaphthalen-2-ylcarbamate structure
685902-48-1 structure
Product Name:tert-butyl 5-formylnaphthalen-2-ylcarbamate
CAS No:685902-48-1
MF:C16H17NO3
MW:271.311084508896
CID:971448
PubChem ID:53432538
Update Time:2025-04-19

tert-butyl 5-formylnaphthalen-2-ylcarbamate Chemical and Physical Properties

Names and Identifiers

    • tert-butyl 5-formylnaphthalen-2-ylcarbamate
    • TERT-BUTYL (5-FORMYL-2-NAPHTHYL)CARBAMATE
    • tert-butyl N-(5-formylnaphthalen-2-yl)carbamate
    • DTXSID00700558
    • BENZYLALPHA-D-GLUCOPYRANOSIDE
    • 685902-48-1
    • tert-Butyl (5-formylnaphthalen-2-yl)carbamate
    • TERT-BUTYL(5-FORMYL-2-NAPHTHYL)CARBAMATE
    • Inchi: 1S/C16H17NO3/c1-16(2,3)20-15(19)17-13-7-8-14-11(9-13)5-4-6-12(14)10-18/h4-10H,1-3H3,(H,17,19)
    • InChI Key: NCUHELDNTPDJQW-UHFFFAOYSA-N
    • SMILES: O(C(NC1C=CC2C(C=O)=CC=CC=2C=1)=O)C(C)(C)C

Computed Properties

  • Exact Mass: 271.12100
  • Monoisotopic Mass: 271.12084340g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 4
  • Complexity: 361
  • 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: 3.2
  • Topological Polar Surface Area: 55.4?2

Experimental Properties

  • PSA: 55.40000
  • LogP: 4.07230
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