[Rh COD (rac)-Binap]BF4

Catalog Number	ACM439801500-1
CAS	439801-50-0
Synonyms	(1Z,5Z)-Cycloocta-1,5-diene;[1-(2-diphenylphosphanylnaphthalen-1-yl)naphthalen-2-yl]-diphenylphosphane;rhodium;tetrafluoroborate
Molecular Weight	920.6
Molecular Formula	C52H44BF4P2Rh
Canonical SMILES	[B-](F)(F)(F)F.C1CC=CCCC=C1.C1=CC=C(C=C1)P(C2=CC=CC=C2)C3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)P(C7=CC=CC=C7)C8=CC=CC=C8.[Rh]
InChI	InChI=1S/C44H32P2.C8H12.BF4.Rh/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;1-2-4-6-8-7-5-3-1;2-1(3,4)5;/h1-32H;1-2,7-8H,3-6H2;/q;-1;/b;2-1-,8-7-;
InChI Key	NXRNGSUCQWUDOA-ONEVTFJLSA-N
Exact Mass	920.20024
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
Isomeric SMILES	[B-](F)(F)(F)F.C1/C=C\CC/C=C\C1.C1=CC=C(C=C1)P(C2=C(C3=CC=CC=C3C=C2)C4=C(C=CC5=CC=CC=C45)P(C6=CC=CC=C6)C7=CC=CC=C7)C8=CC=CC=C8.[Rh]
Monoisotopic Mass	920.20024
Rotatable Bond Count	7
Topological Polar Surface Area	0 Ų