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Home Fluorides 1194050-21-9
1194050-21-9,MFCD25372946
Catalog No.:AA000IN7

1194050-21-9 | [(1,2,5,6-η)-1,5-Cyclooctadiene][(4S)-2-[(5S)-6-(diphenylphosphino-κP)spiro[4.4]nona-1,6-dien-1-yl]-4,5-dihydro-4-phenyloxazole-κN3]-(+)-Iridium(I) Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate

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Technical Information
Catalog Number:
AA000IN7
Chemical Name:
[(1,2,5,6-η)-1,5-Cyclooctadiene][(4S)-2-[(5S)-6-(diphenylphosphino-κP)spiro[4.4]nona-1,6-dien-1-yl]-4,5-dihydro-4-phenyloxazole-κN3]-(+)-Iridium(I) Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate
CAS Number:
1194050-21-9
Molecular Formula:
C70H52BF24IrNOP-
Molecular Weight:
1613.1314
MDL Number:
MFCD25372946
SMILES:
[B-](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)(C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F)(C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C4=CC(=CC(=C4)C(F)(F)F)C(F)(F)F.C1CC=CCCC=C1.C1CC2(CCC=C2P(C3=CC=CC=C3)C4=CC=CC=C4)C(=C1)C5=NC(CO5)C6=CC=CC=C6.[Ir]
Properties
Computed Properties
 
Complexity:
1890  
Covalently-Bonded Unit Count:
4  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
2  
Formal Charge:
-1  
Heavy Atom Count:
99  
Hydrogen Bond Acceptor Count:
27  
Rotatable Bond Count:
9  

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Tags:1194050-21-9 Molecular Formula|1194050-21-9 MDL|1194050-21-9 SMILES|1194050-21-9 [(1,2,5,6-η)-1,5-Cyclooctadiene][(4S)-2-[(5S)-6-(diphenylphosphino-κP)spiro[4.4]nona-1,6-dien-1-yl]-4,5-dihydro-4-phenyloxazole-κN3]-(+)-Iridium(I) Tetrakis[3,5-bis(trifluoromethyl)phenyl]borate