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Home > Other Heterocycles > 76740-45-9
76740-45-9 | Phosphine,1,1'-(1R,2R,3R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-diylbis[1,1-diphenyl-, rel-
CAS No: 76740-45-9 Catalog No: AG005II9 MDL No:
Product Description
Catalog Number:
AG005II9
Chemical Name:
Phosphine,1,1'-(1R,2R,3R,4S)-bicyclo[2.2.1]hept-5-ene-2,3-diylbis[1,1-diphenyl-, rel-
CAS Number:
76740-45-9
Molecular Formula:
C31H30P2
Molecular Weight:
464.5174
IUPAC Name:
[(2S,3S)-3-diphenylphosphanyl-2-bicyclo[2.2.1]heptanyl]-diphenylphosphane
InChI:
InChI=1S/C31H30P2/c1-5-13-26(14-6-1)32(27-15-7-2-8-16-27)30-24-21-22-25(23-24)31(30)33(28-17-9-3-10-18-28)29-19-11-4-12-20-29/h1-20,24-25,30-31H,21-23H2/t24?,25?,30-,31-/m0/s1
InChI Key:
LBNIIIAVAIZHKJ-VHIJXPJYSA-N
SMILES:
C1CC2CC1[C@@H]([C@H]2P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
464.182g/mol
Formal Charge:
0
Heavy Atom Count:
33
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
464.529g/mol
Monoisotopic Mass:
464.182g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
7.1
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