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73805-86-4 | Phosphonium, ((4-nitrophenyl)methyl)triphenyl-, iodide (9CI)
CAS No: 73805-86-4 Catalog No: AG005KHL MDL No:
Product Description
Catalog Number:
AG005KHL
Chemical Name:
Phosphonium, ((4-nitrophenyl)methyl)triphenyl-, iodide (9CI)
CAS Number:
73805-86-4
Molecular Formula:
C25H21INO2P
Molecular Weight:
525.3180
IUPAC Name:
(4-nitrophenyl)methyl-triphenylphosphanium;iodide
InChI:
InChI=1S/C25H21NO2P.HI/c27-26(28)22-18-16-21(17-19-22)20-29(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1
InChI Key:
XZVYBOONDXWWSA-UHFFFAOYSA-M
SMILES:
[O-][N+](=O)c1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[I-]
NSC Number:
203427
Properties
Complexity:
462
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
525.035g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
525.326g/mol
Monoisotopic Mass:
525.035g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
45.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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