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Home> Hot Product Listed 1   > 1H-Indazole, 5-broMo-3-iodo-1-[[2-(triMethylsilyl)ethoxy]Methyl]-
1388214-89-8 structure

1H-Indazole, 5-broMo-3-iodo-1-[[2-(triMethylsilyl)ethoxy]Methyl]-

Iupac Name:2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-2-methylpropanamide
CAS No.:1388214-89-8
Molecular Weight:221.26g/mol
Molecular Formula:C8H9F2NO (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C11H15N3O2/c1-11(2,10(13)15)8-5-3-7(4-6-8)9(12)14-16/h3-6,16H,1-2H3,(H2,12,14)(H2,13,15)
InChkey
QQARNGBPWGPFNH-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C1=CC=C(C=C1)C(=NO)N)C(=O)N
Computational chemical data
  • Molecular Weight:221.26g/molg/mol
  • Molecular Formula:C8H9F2NO
  • Compound Is Canonicalized:True
  • Exact Mass:221.116
  • Monoisotopic Mass:221.116
  • Complexity:292
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:3
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:102A^2
  • Heavy Atom Count:16
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccBzMAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAUCAAADgCBmAAzAIBQAACo AiNyMACCAAAgAAAIiAEgBJgIILKAlRGAIABggAAIiAcYiMCPwAAAAAAAAACAAAAAAAAAAAAAAAAA AA==
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