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Home> Hot Product Listed R   > Rhodium carbide (RhC2)(9CI)
1214265-56-1 structure

Rhodium carbide (RhC2)(9CI)

Iupac Name:N-[3-[5-chloro-2-[4-(4-methylpiperazin-1-yl)anilino]pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CAS No.:1214265-56-1
Molecular Weight:464.954
Molecular Formula:C15H22CL2O6RH (isomer)
Names and Identifiers
Synonyms

Rhodiumdicarbide (RhC2)

Inchi
InChI=1S/C24H25ClN6O2/c1-3-22(32)27-18-5-4-6-20(15-18)33-23-21(25)16-26-24(29-23)28-17-7-9-19(10-8-17)31-13-11-30(2)12-14-31/h3-10,15-16H,1,11-14H2,2H3,(H,27,32)(H,26,28,29)
InChkey
APHGZZPEOCCYNO-UHFFFAOYSA-N
Canonical Smiles
CN1CCN(CC1)C2=CC=C(C=C2)NC3=NC=C(C(=N3)OC4=CC=CC(=C4)NC(=O)C=C)Cl
Computational chemical data
  • Molecular Weight:464.954g/mol
  • Molecular Formula:C15H22CL2O6RH
  • Compound Is Canonicalized:True
  • Exact Mass:464.173
  • Monoisotopic Mass:464.173
  • Complexity:638
  • Rotatable Bond Count:7
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:7
  • Topological Polar Surface Area:82.6A^2
  • Heavy Atom Count:33
  • 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: AAADceB7sAAEAAAAAAAAAAAAAAAAAAAAAAA8eIEAAAAAAAAB0AAAHgIQAAAACA7BkiQ/1pfIFACo ADV3dACCiCkxI+AJ2CAubdiMbqPE+dvePCju1BvI6KeQUAMAAACAAgAAAAAAAQAEAAAAAAAAAAAA AA==
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