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113504-54-4 | Phosphonium, [3-(2,5-dioxo-1-pyrrolidinyl)propyl]triphenyl-, bromide (1:1)
CAS No: 113504-54-4 Catalog No: AG0008TV MDL No:
Product Description
Catalog Number:
AG0008TV
Chemical Name:
Phosphonium, [3-(2,5-dioxo-1-pyrrolidinyl)propyl]triphenyl-, bromide (1:1)
CAS Number:
113504-54-4
Molecular Formula:
C25H25BrNO2P
Molecular Weight:
482.3493
IUPAC Name:
3-(2,5-dioxopyrrolidin-1-yl)propyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C25H25NO2P.BrH/c27-24-17-18-25(28)26(24)19-10-20-29(21-11-4-1-5-12-21,22-13-6-2-7-14-22)23-15-8-3-9-16-23;/h1-9,11-16H,10,17-20H2;1H/q+1;/p-1
InChI Key:
GSDMSNIGPDZVLC-UHFFFAOYSA-M
SMILES:
O=C1CCC(=O)N1CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
498
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.081g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
482.358g/mol
Monoisotopic Mass:
481.081g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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