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Home> Encyclopedia > Hot Product Listed 5   > 5-Heptenoic acid,7-[(1R,2S,3S,4S)-3-[(1E,3S)-4-(4-fluorophenoxy)-3-hydroxy-1-buten-1-yl]-7-oxabicycl...
1160573-89-6 structure

5-Heptenoic acid,7-[(1R,2S,3S,4S)-3-[(1E,3S)-4-(4-fluorophenoxy)-3-hydroxy-1-buten-1-yl]-7-oxabicyclo[2.2.1]hept-2-yl]-,(5Z)-rel-

Iupac Name:1-bromo-4-chloro-2-ethylbenzene
CAS No.:1160573-89-6
Molecular Weight:219.506
Molecular Formula:C5H8N2O4 (isomer)
Names and Identifiers
Synonyms

5-Heptenoic acid, 7-[3-[4-(4-fluorophenoxy)-3-hydroxy-1-butenyl]-7-oxabicyclo[2.2.1]hept-2-yl]-,[1a,2a(Z),3b(1E,3S*),4a]- 5-Heptenoic acid,7-[3-[4-(4-fluorophenoxy)-3-hydroxy-1-butenyl]-7-oxabicyclo[2.2.1]hept-2-yl]-,[1a,2a(Z),3b(1E,3S*),4a]-(?à)- 5-Heptenoicacid, 7-[(1R,2S,3S,4S)-3-[(1E,3S)-4-(4-fluorophenoxy)-3-hydroxy-1-butenyl]-7-oxabicyclo[2.2.1]hept-2-yl]-,(5Z)-rel- (9CI) EP 171 EP 171 (activator)

Inchi
InChI=1S/C8H8BrCl/c1-2-6-5-7(10)3-4-8(6)9/h3-5H,2H2,1H3
InChkey
BTGSQYQDTHZFCM-UHFFFAOYSA-N
Canonical Smiles
CCC1=C(C=CC(=C1)Cl)Br
Properties
Flash Point
233.2°C
Computational chemical data
  • Molecular Weight:219.506g/mol
  • Molecular Formula:C5H8N2O4
  • Compound Is Canonicalized:True
  • Exact Mass:217.95
  • Monoisotopic Mass:217.95
  • Complexity:105
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:10
  • 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: AAADccBwAAAEEAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAJAAAABrAKAGCAyAIAAAACA AiBCAAACAAAgBQQIiAAAAqgIICKBExCAIAAggAAIihcAgIAOAAAIIAAAgAAAABBAAAEAAAAAAAAA AA==
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