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Home> Hot Product Listed F   > F2879-4220
38674-98-5 structure

F2879-4220

Iupac Name:octyl 2-bromoacetate
CAS No.:38674-98-5
Molecular Weight:251.164
Molecular Formula:C17H24N4O2S (isomer)
Names and Identifiers
Synonyms

AKOS024474129 BG00326480 MCULE-3425569710 MOLPORT-003-647-466 n'-(3-chloro-4-fluorophenyl)-n-(1-hydroxybutan-2-yl)ethanediamide n1-(3-chloro-4-fluorophenyl)-n2-(1-hydroxybutan-2-yl)oxalamide VU0503987-1

Inchi
InChI=1S/C10H19BrO2/c1-2-3-4-5-6-7-8-13-10(12)9-11/h2-9H2,1H3
InChkey
ZBNUZMDEFBLZIJ-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCOC(=O)CBr
Properties
Refractive Index
1.462
Computational chemical data
  • Molecular Weight:251.164g/mol
  • Molecular Formula:C17H24N4O2S
  • Compound Is Canonicalized:True
  • XLogP3-AA:4.2
  • Exact Mass:250.057
  • Monoisotopic Mass:250.057
  • Complexity:126
  • Rotatable Bond Count:9
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:26.3A^2
  • Heavy Atom Count:13
  • 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: AAADceBwMAAAEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgBAAAABSACggAICCAAABAAI AACQCAAAAAAAAAAAAAAAAAAgAAIAAAACAAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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