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Home> Hot Product Listed D   > DICHLORO(2Z)-2-[(4-OXO-4H-1-BENZOPYRAN-3-YL)METHYLENE]HYDRAZINECARBOTHIOAMIDE COPPER COMPLEX
902779-59-3 structure

DICHLORO(2Z)-2-[(4-OXO-4H-1-BENZOPYRAN-3-YL)METHYLENE]HYDRAZINECARBOTHIOAMIDE COPPER COMPLEX

Iupac Name:dichlorocopper;[(Z)-(4-oxochromen-3-yl)methylideneamino]thiourea
CAS No.:902779-59-3
Molecular Weight:381.718
Molecular Formula:C11H9Cl2CuN3O2S (isomer)
Names and Identifiers
Synonyms

dichloro[(2z)-2-[(4-oxo-4h-1-benzopyran-3-yl)methylene]hydrazinecarbothioamide copper complex FPA 124

Inchi
InChI=1S/C11H9N3O2S.2ClH.Cu/c12-11(17)14-13-5-7-6-16-9-4-2-1-3-8(9)10(7)15;;;/h1-6H,(H3,12,14,17);2*1H;/q;;;+2/p-2/b13-5-;;;
InChkey
HZRXQEVFXXQYFS-KHDHKOIVSA-L
Canonical Smiles
C1=CC=C2C(=C1)C(=O)C(=CO2)C=NNC(=S)N.Cl[Cu]Cl
Computational chemical data
  • Molecular Weight:381.718g/mol
  • Molecular Formula:C11H9Cl2CuN3O2S
  • Compound Is Canonicalized:True
  • Exact Mass:379.909
  • Monoisotopic Mass:379.909
  • Complexity:395
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:109A^2
  • Heavy Atom Count:20
  • 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:2
  • CACTVS Substructure Key Fingerprint: AAADccBzMABGAAAEAAAAAAAAAAAAAAAAAAAwQAAAAAAAAACBAAAAHgQYAAAADAThmAYxBoBiBACs ArBzAAASCAAkIAEMiAEmCNgMJjaENRqAMWA06BEIqYeIyKCOAAAAAAAIAAAAAAAAABAAAAAAAAAA AA==
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