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25075-81-4 | Phosphonium, 1,1'-[2,6-naphthalenediylbis(methylene)]bis[1,1,1-triphenyl-, bromide (1:2)
CAS No: 25075-81-4 Catalog No: AG002QEY MDL No:
Product Description
Catalog Number:
AG002QEY
Chemical Name:
Phosphonium, 1,1'-[2,6-naphthalenediylbis(methylene)]bis[1,1,1-triphenyl-, bromide (1:2)
CAS Number:
25075-81-4
Molecular Formula:
C48H40Br2P2
Molecular Weight:
838.5867
IUPAC Name:
triphenyl-[[6-(triphenylphosphaniumylmethyl)naphthalen-2-yl]methyl]phosphanium;dibromide
InChI:
InChI=1S/C48H40P2.2BrH/c1-7-19-43(20-8-1)49(44-21-9-2-10-22-44,45-23-11-3-12-24-45)37-39-31-33-42-36-40(32-34-41(42)35-39)38-50(46-25-13-4-14-26-46,47-27-15-5-16-28-47)48-29-17-6-18-30-48;;/h1-36H,37-38H2;2*1H/q+2;;/p-2
InChI Key:
ITQNUYVMIWNXFD-UHFFFAOYSA-L
SMILES:
c1ccc(cc1)[P+](c1ccccc1)(c1ccccc1)Cc1ccc2c(c1)ccc(c2)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-].[Br-]
Properties
Complexity:
813
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
838.095g/mol
Formal Charge:
0
Heavy Atom Count:
52
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
838.604g/mol
Monoisotopic Mass:
836.097g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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