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52710-37-9 | (3-methylbutyl)triphenylphosphanium iodide
CAS No: 52710-37-9 Catalog No: AG01BD80 MDL No:MFCD00159389
Product Description
Catalog Number:
AG01BD80
Chemical Name:
(3-methylbutyl)triphenylphosphanium iodide
CAS Number:
52710-37-9
Molecular Formula:
C23H26IP
Molecular Weight:
460.3308
MDL Number:
MFCD00159389
IUPAC Name:
3-methylbutyl(triphenyl)phosphanium;iodide
InChI:
InChI=1S/C23H26P.HI/c1-20(2)18-19-24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17,20H,18-19H2,1-2H3;1H/q+1;/p-1
InChI Key:
XFMGUSCDUAKMEP-UHFFFAOYSA-M
SMILES:
CC(CC[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[I-]
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.082g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
460.339g/mol
Monoisotopic Mass:
460.082g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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