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66128-16-3 | Phosphonium, bis(1,1-dimethylethyl)methyl(phenylethynyl)-, iodide
CAS No: 66128-16-3 Catalog No: AG00H82X MDL No:
Product Description
Catalog Number:
AG00H82X
Chemical Name:
Phosphonium, bis(1,1-dimethylethyl)methyl(phenylethynyl)-, iodide
CAS Number:
66128-16-3
Molecular Formula:
C17H26IP
Molecular Weight:
388.2666
IUPAC Name:
ditert-butyl-methyl-(2-phenylethynyl)phosphanium;iodide
InChI:
InChI=1S/C17H26P.HI/c1-16(2,3)18(7,17(4,5)6)14-13-15-11-9-8-10-12-15;/h8-12H,1-7H3;1H/q+1;/p-1
InChI Key:
FSZNSFLWPXTVJK-UHFFFAOYSA-M
SMILES:
CC([P+](C(C)(C)C)(C#Cc1ccccc1)C)(C)C.[I-]
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
388.082g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
388.273g/mol
Monoisotopic Mass:
388.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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