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Home> Hot Product Listed 1   > 1H-Imidazole,2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-
392244-44-9 structure

1H-Imidazole,2-(7-fluoro-2,3-dihydro-1,4-benzodioxin-2-yl)-4,5-dihydro-

Iupac Name:4-chloro-N-(5-methyl-1,3,4-thiadiazol-2-yl)butanamide
CAS No.:392244-44-9
Molecular Weight:219.687
Molecular Formula:C13H17NO (isomer)
Names and Identifiers
Synonyms

1,4-Benzodioxin,1H-imidazole deriv. RX 801023

Inchi
InChI=1S/C7H10ClN3OS/c1-5-10-11-7(13-5)9-6(12)3-2-4-8/h2-4H2,1H3,(H,9,11,12)
InChkey
CSNHGGCMBSRORE-UHFFFAOYSA-N
Canonical Smiles
CC1=NN=C(S1)NC(=O)CCCCl
Properties
Refractive Index
1.594
Flash Point
206.6°C
Computational chemical data
  • Molecular Weight:219.687g/mol
  • Molecular Formula:C13H17NO
  • Compound Is Canonicalized:True
  • Exact Mass:219.023
  • Monoisotopic Mass:219.023
  • Complexity:181
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:83.1A^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: AAADccBjIABEAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAABgAAAHgYYAAAACAOBwkADEALAAAgu AAEwMAAQAIJAABkVAAEQAgCAABABiAAEAAAQGQIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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