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Home> Hot Product Listed M   > MOLPORT-001-771-982
401573-23-7 structure

MOLPORT-001-771-982

Iupac Name:tert-butyl N-[(4-acetamidophenyl)methyl]carbamate
CAS No.:401573-23-7
Molecular Weight:264.325
Molecular Formula:C12H14N2OS (isomer)
Names and Identifiers
Synonyms

bis(5-chloro-1h,1h-perfluoropentyl)sulphate mfcd00153657 PC1226H ZINC95708034 zx-ap005793

Inchi
InChI=1S/C14H20N2O3/c1-10(17)16-12-7-5-11(6-8-12)9-15-13(18)19-14(2,3)4/h5-8H,9H2,1-4H3,(H,15,18)(H,16,17)
InChkey
YPIXOFQNVFLWSB-UHFFFAOYSA-N
Canonical Smiles
CC(=O)NC1=CC=C(C=C1)CNC(=O)OC(C)(C)C
Computational chemical data
  • Molecular Weight:264.325g/mol
  • Molecular Formula:C12H14N2OS
  • Compound Is Canonicalized:True
  • Exact Mass:264.147
  • Monoisotopic Mass:264.147
  • Complexity:315
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:67.4A^2
  • Heavy Atom Count:19
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADEzBmAQyyILABACI AiVSWACCAAAhAgAIiIAIZIkIICLAkZGMIAhglgDIyAcQgAAOCAAAAAAAAAAQAAAAAAAAAAAAAAAA AA==
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