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56977-92-5 | [Rh((R,R)-DiPAMP)COD]BF4
CAS No: 56977-92-5 Catalog No: AG003A8I MDL No:MFCD01074456
Product Description
Catalog Number:
AG003A8I
Chemical Name:
[Rh((R,R)-DiPAMP)COD]BF4
CAS Number:
56977-92-5
Molecular Formula:
C36H36BF4O2P2Rh
Molecular Weight:
752.3275
MDL Number:
MFCD01074456
IUPAC Name:
(1Z,5Z)-cycloocta-1,5-diene;(R)-(2-methoxyphenyl)-[2-[(2-methoxyphenyl)-phenylphosphanyl]ethyl]-phenylphosphane;rhodium;tetrafluoroborate
InChI:
InChI=1S/C28H28O2P2.C8H12.BF4.Rh/c1-29-25-17-9-11-19-27(25)31(23-13-5-3-6-14-23)21-22-32(24-15-7-4-8-16-24)28-20-12-10-18-26(28)30-2;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h3-20H,21-22H2,1-2H3;1-2,7-8H,3-6H2;;/q;;-1;/b;2-1-,8-7-;;/t31-,32-;;;/m1.../s1
InChI Key:
DCGUTTVLWMBBAX-PFAWBQHYSA-N
SMILES:
F[B-](F)(F)F.COc1ccccc1[P@+]1(CC[P@@+]([Rh-]2341C1=C4CCC2=C3CC1)(c1ccccc1)c1ccccc1OC)c1ccccc1
Properties
Complexity:
563
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
4
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
2
Exact Mass:
756.159g/mol
Formal Charge:
-1
Heavy Atom Count:
46
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
756.371g/mol
Monoisotopic Mass:
756.159g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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