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1194050-19-5 | 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-(phenylmethyl)oxazole-κN3]-, tetrakis[3,5-bis(trifluoromethyl)phenyl]borate(1-) (1:1)
CAS No: 1194050-19-5 Catalog No: AG000IQ0 MDL No:
Product Description
Catalog Number:
AG000IQ0
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-(phenylmethyl)oxazole-κN3]-, tetrakis[3,5-bis(trifluoromethyl)phenyl]borate(1-) (1:1)
CAS Number:
1194050-19-5
IUPAC Name:
[(5S)-9-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]spiro[4.4]nona-3,8-dien-4-yl]-diphenylphosphane;(1Z,5Z)-cycloocta-1,5-diene;iridium;tetrakis[3,5-bis(trifluoromethyl)phenyl]boranuide
InChI:
InChI=1S/C32H12BF24.C31H30NOP.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;1-4-12-24(13-5-1)22-25-23-33-30(32-25)28-18-10-20-31(28)21-11-19-29(31)34(26-14-6-2-7-15-26)27-16-8-3-9-17-27;1-2-4-6-8-7-5-3-1;/h1-12H;1-9,12-19,25H,10-11,20-23H2;1-2,7-8H,3-6H2;/q-1;;;/b;;2-1-,8-7-;/t;25-,31-;;/m.0../s1
InChI Key:
MGHZIMDVYIGXGD-VRIRJSKSSA-N
Properties
Complexity:
1900
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
2
Exact Mass:
1627.328g/mol
Formal Charge:
-1
Heavy Atom Count:
100
Hydrogen Bond Acceptor Count:
27
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
1627.181g/mol
Monoisotopic Mass:
1627.328g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
21.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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