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Home> Hot Product Listed 1   > (1E)-1-CHLORO-3-ETHOXY-1-PROPENE
75736-57-1 structure

(1E)-1-CHLORO-3-ETHOXY-1-PROPENE

Iupac Name:11,11,12,12-tetradeuteriohexadecanoic acid
CAS No.:75736-57-1
Molecular Weight:260.454
Molecular Formula:C8H8BRCLO (isomer)
Names and Identifiers
Synonyms

(e)-1-chloro-3-ethoxyprop-1-ene 1-chloro-3-ethoxy-propene 99586-45-5 SCHEMBL7636364

Inchi
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)/i5D2,6D2
InChkey
IPCSVZSSVZVIGE-NZLXMSDQSA-N
Canonical Smiles
CCCCCCCCCCCCCCCC(=O)O
Computational chemical data
  • Molecular Weight:260.454g/mol
  • Molecular Formula:C8H8BRCLO
  • Compound Is Canonicalized:True
  • XLogP3-AA:6.4
  • Exact Mass:260.265
  • Monoisotopic Mass:260.265
  • Complexity:178
  • Rotatable Bond Count:14
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:37.3A^2
  • Heavy Atom Count:18
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:4
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcfB4MAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACAgAACCAAAAgAI AACQCAAAAAAAAAAAAAEAAAAAABIAAAAAQAAEAAAAAAGIyKCAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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