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129789-59-9 | Phosphonium, [6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)hexyl]triphenyl-, bromide (1:1)
CAS No: 129789-59-9 Catalog No: AG000TPB MDL No:
Product Description
Catalog Number:
AG000TPB
Chemical Name:
Phosphonium, [6-(1,3-dihydro-1,3-dioxo-2H-isoindol-2-yl)hexyl]triphenyl-, bromide (1:1)
CAS Number:
129789-59-9
Molecular Formula:
C32H31BrNO2P
Molecular Weight:
572.4718
IUPAC Name:
6-(1,3-dioxoisoindol-2-yl)hexyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C32H31NO2P.BrH/c34-31-29-22-12-13-23-30(29)32(35)33(31)24-14-1-2-15-25-36(26-16-6-3-7-17-26,27-18-8-4-9-19-27)28-20-10-5-11-21-28;/h3-13,16-23H,1-2,14-15,24-25H2;1H/q+1;/p-1
InChI Key:
SQTSHQQNNSLBJE-UHFFFAOYSA-M
SMILES:
O=C1N(CCCCCC[P+](c2ccccc2)(c2ccccc2)c2ccccc2)C(=O)c2c1cccc2.[Br-]
Properties
Complexity:
650
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
571.128g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
572.483g/mol
Monoisotopic Mass:
571.128g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
37.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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