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Home> Hot Product Listed S   > Silane,3-hexen-1-yne-1,6-diylbis[methyl- (9CI)
41420-93-3 structure

Silane,3-hexen-1-yne-1,6-diylbis[methyl- (9CI)

Iupac Name:2-(3-chlorophenyl)-5-methyl-1,3,4-oxadiazole
CAS No.:41420-93-3
Molecular Weight:194.618
Molecular Formula:C18H23O3SI (isomer)
Names and Identifiers
Synonyms

2,9-Disiladec-5-en-3-yne

Inchi
InChI=1S/C9H7ClN2O/c1-6-11-12-9(13-6)7-3-2-4-8(10)5-7/h2-5H,1H3
InChkey
TXPDYYZFONCMIL-UHFFFAOYSA-N
Canonical Smiles
CC1=NN=C(O1)C2=CC(=CC=C2)Cl
Properties
Density
0.93
Flash Point
°C
Computational chemical data
  • Molecular Weight:194.618g/mol
  • Molecular Formula:C18H23O3SI
  • Compound Is Canonicalized:True
  • Exact Mass:194.025
  • Monoisotopic Mass:194.025
  • Complexity:179
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:38.9A^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: AAADcYBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgIIAAAADAKBmiAyAIAABECq AiFyEACSAAAsBQAaiCEwDtgIJrKBtxmKMQBkyAEIqYeYyCCOAAAAIAAAAAAAAABAAAAAAAAAAAAA AA==
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