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116423-25-7 | Phosphonium, [2-(5-nitro-2-furanyl)ethenyl]triphenyl-, bromide (1:1)
CAS No: 116423-25-7 Catalog No: AG000CGC MDL No:
Product Description
Catalog Number:
AG000CGC
Chemical Name:
Phosphonium, [2-(5-nitro-2-furanyl)ethenyl]triphenyl-, bromide (1:1)
CAS Number:
116423-25-7
Molecular Formula:
C24H19BrNO3P
Molecular Weight:
480.2903
IUPAC Name:
2-(5-nitrofuran-2-yl)ethenyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C24H19NO3P.BrH/c26-25(27)24-17-16-20(28-24)18-19-29(21-10-4-1-5-11-21,22-12-6-2-7-13-22)23-14-8-3-9-15-23;/h1-19H;1H/q+1;/p-1
InChI Key:
MVPSQQZMSJGNPB-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1ccc(o1)C=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
511
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
479.029g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
480.298g/mol
Monoisotopic Mass:
479.029g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
59A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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