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Home> Encyclopedia > Hot Product Listed 2   > 2-Butanone,3-[[3-[[2-(hydroxyimino)-1,1-dimethylpropyl]amino]propyl]amino]-3-methyl-1-(2-nitro-1H-im...
58518-55-1 structure

2-Butanone,3-[[3-[[2-(hydroxyimino)-1,1-dimethylpropyl]amino]propyl]amino]-3-methyl-1-(2-nitro-1H-imidazol-1-yl)-,oxime

Iupac Name:4,5-dimethyl-1H-indole-2-carbaldehyde
CAS No.:58518-55-1
Molecular Weight:173.215
Molecular Formula:C16H13CLO2 (isomer)
Names and Identifiers
Synonyms

BMS 181032

Inchi
InChI=1S/C11H11NO/c1-7-3-4-11-10(8(7)2)5-9(6-13)12-11/h3-6,12H,1-2H3
InChkey
QEBPEMKFXKLTMH-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C2=C(C=C1)NC(=C2)C=O)C
Properties
Density
1.519
Flash Point
58.1°C
Computational chemical data
  • Molecular Weight:173.215g/mol
  • Molecular Formula:C16H13CLO2
  • Compound Is Canonicalized:True
  • Exact Mass:173.084
  • Monoisotopic Mass:173.084
  • Complexity:204
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:32.9A^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: AAADccByIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQAAAADAihngIywPLJkACo AyxyxACCgCAnAiAImSGwZNgIIPLAlbGEIQhgkADIyYcYicCeiAACQAASAAAQAASAACQAAAAAAAAA AA==
 
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