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1194050-23-1 | Iridium(1+), [(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-(1-methylethyl)oxazole-κN3]-, tetrakis[3,5-bis(trifluoromethyl)phenyl]borate(1-) (1:1)
CAS No: 1194050-23-1 Catalog No: AG000IPY MDL No:
Product Description
Catalog Number:
AG000IPY
Chemical Name:
Iridium(1+), [(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-(1-methylethyl)oxazole-κN3]-, tetrakis[3,5-bis(trifluoromethyl)phenyl]borate(1-) (1:1)
CAS Number:
1194050-23-1
IUPAC Name:
(1Z,5Z)-cycloocta-1,5-diene;diphenyl-[(5S)-9-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]spiro[4.4]nona-3,8-dien-4-yl]phosphane;iridium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
InChI:
InChI=1S/C32H12BF24.C27H30NOP.C8H12.Ir/c34-25(35,36)13-1-14(26(37,38)39)6-21(5-13)33(22-7-15(27(40,41)42)2-16(8-22)28(43,44)45,23-9-17(29(46,47)48)3-18(10-23)30(49,50)51)24-11-19(31(52,53)54)4-20(12-24)32(55,56)57;1-20(2)24-19-29-26(28-24)23-15-9-17-27(23)18-10-16-25(27)30(21-11-5-3-6-12-21)22-13-7-4-8-14-22;1-2-4-6-8-7-5-3-1;/h1-12H;3-8,11-16,20,24H,9-10,17-19H2,1-2H3;1-2,7-8H,3-6H2;/q-1;;;/b;;2-1-,8-7-;/t;24-,27+;;/m.1../s1
InChI Key:
ZCNMTKVFUAFRHL-GAKNFCJRSA-N
Properties
Complexity:
1820
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
2
Exact Mass:
1579.328g/mol
Formal Charge:
-1
Heavy Atom Count:
96
Hydrogen Bond Acceptor Count:
27
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1579.137g/mol
Monoisotopic Mass:
1579.328g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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