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325168-88-5 | (S)-(+)-4,12-Bis[di(3,5-xylyl)phosphino]-[2.2]-paracyclophane
CAS No: 325168-88-5 Catalog No: AG003CHD MDL No:
Product Description
Catalog Number:
AG003CHD
Chemical Name:
(S)-(+)-4,12-Bis[di(3,5-xylyl)phosphino]-[2.2]-paracyclophane
CAS Number:
325168-88-5
Molecular Formula:
C48H50P2
Molecular Weight:
688.8581
IUPAC Name:
[11-bis(3,5-dimethylphenyl)phosphanyl-5-tricyclo[8.2.2.24,7]hexadeca-1(12),4,6,10,13,15-hexaenyl]-bis(3,5-dimethylphenyl)phosphane
InChI:
InChI=1S/C48H50P2/c1-31-17-32(2)22-43(21-31)49(44-23-33(3)18-34(4)24-44)47-29-39-9-13-41(47)15-11-40-10-14-42(16-12-39)48(30-40)50(45-25-35(5)19-36(6)26-45)46-27-37(7)20-38(8)28-46/h9-10,13-14,17-30H,11-12,15-16H2,1-8H3
InChI Key:
LYHOBZAADXPPNW-UHFFFAOYSA-N
SMILES:
Cc1cc(C)cc(c1)P(c1cc2CCc3ccc(CCc1cc2)cc3P(c1cc(C)cc(c1)C)c1cc(C)cc(c1)C)c1cc(C)cc(c1)C
Properties
Complexity:
881
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
688.339g/mol
Formal Charge:
0
Heavy Atom Count:
50
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
688.876g/mol
Monoisotopic Mass:
688.339g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.7
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