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Home> Encyclopedia > Hot Product Listed 5   > 5-Benzofurancarboximidamide,2-[4-(aminoiminomethyl)phenyl]-
81-45-8 structure

5-Benzofurancarboximidamide,2-[4-(aminoiminomethyl)phenyl]-

Iupac Name:N-(4-chloro-9,10-dioxoanthracen-1-yl)benzamide
CAS No.:81-45-8
EINECS(EC#): 245-158-3
Molecular Weight:361.781
Molecular Formula:C12H14O2 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C21H12ClNO3/c22-15-10-11-16(23-21(26)12-6-2-1-3-7-12)18-17(15)19(24)13-8-4-5-9-14(13)20(18)25/h1-11H,(H,23,26)
InChkey
FNCVZYRPXOZNSM-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C(=O)NC2=C3C(=C(C=C2)Cl)C(=O)C4=CC=CC=C4C3=O
Properties
Refractive Index
1.714
Safety and Handling
Safety Statements
Moderately toxic by intraperitoneal route. When heated to decomposition it emits very toxic fumes of Cl− and NOx.
Computational chemical data
  • Molecular Weight:361.781g/mol
  • Molecular Formula:C12H14O2
  • Compound Is Canonicalized:True
  • Exact Mass:361.051
  • Monoisotopic Mass:361.051
  • Complexity:586
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:63.2A^2
  • Heavy Atom Count:26
  • 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: AAADccB6MAAEAAAAAAAAAAAAAAAAAAAAAAAwYMGAAAAAAADBUAAAHgIQAAAADA6BmCAwwILAAACI AqVSUACCAAAlBwAIiAEAZsgIIDrBl5GEIYhglADIzccdiMCOgABAYAATAACAAITAACYAAAAAAAAA AA==
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