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142962-95-6 | (S)-Ru(OAc)2(H8-BINAP)
CAS No: 142962-95-6 Catalog No: AG003COC MDL No:
Product Description
Catalog Number:
AG003COC
Chemical Name:
(S)-Ru(OAc)2(H8-BINAP)
CAS Number:
142962-95-6
Molecular Formula:
C92H86O4P4Ru2++
Molecular Weight:
1581.6999
IUPAC Name:
acetic acid;[1-(2-diphenylphosphanyl-5,6,7,8-tetrahydronaphthalen-1-yl)-5,6,7,8-tetrahydronaphthalen-2-yl]-diphenylphosphane;ruthenium
InChI:
InChI=1S/C44H40P2.2C2H4O2.Ru/c1-5-19-35(20-6-1)45(36-21-7-2-8-22-36)41-31-29-33-17-13-15-27-39(33)43(41)44-40-28-16-14-18-34(40)30-32-42(44)46(37-23-9-3-10-24-37)38-25-11-4-12-26-38;2*1-2(3)4;/h1-12,19-26,29-32H,13-18,27-28H2;2*1H3,(H,3,4);
InChI Key:
BWYPLACAJUYPKL-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)P(c1ccc2c(c1c1c3CCCCc3ccc1P(c1ccccc1)c1ccccc1)CCCC2)c1ccccc1.c1ccc(cc1)P(c1ccc2c(c1c1c3CCCCc3ccc1P(c1ccccc1)c1ccccc1)CCCC2)c1ccccc1.[O-]C(=O)C.[O-]C(=O)C.[Ru+2].[Ru+2]
Properties
Complexity:
875
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
852.207g/mol
Formal Charge:
0
Heavy Atom Count:
55
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
851.926g/mol
Monoisotopic Mass:
852.207g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
74.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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