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Home> Encyclopedia > Hot Product Listed 2   > 2-Butenoic acid,4-amino-2-fluoro-, (2Z)-
840482-58-8 structure

2-Butenoic acid,4-amino-2-fluoro-, (2Z)-

CAS No.:840482-58-8
Molecular Weight:425.54
Molecular Formula:C29H44O9 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C22H20FN3OS2/c1-12-24-18-16-8-14-10-27-22(2,3)9-17(14)26-20(16)29-19(18)21(25-12)28-11-13-4-6-15(23)7-5-13/h4-8H,9-11H2,1-3H3
InChkey
IBPDPXJFVVELQE-UHFFFAOYSA-N
Canonical Smiles
CC1=NC2=C(C(=N1)SCC3=CC=C(C=C3)F)SC4=NC5=C(COC(C5)(C)C)C=C24
Properties
Density
0.844
Boiling Point
116 °C at 760 mmHg
Computational chemical data
  • Molecular Weight:425.54g/mol
  • Molecular Formula:C29H44O9
  • Compound Is Canonicalized:True
  • Exact Mass:425.103
  • Monoisotopic Mass:425.103
  • Complexity:588
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:7
  • Heavy Atom Count:29
  • 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
 
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