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83949-31-9 | Phosphonium,(2,5,6,10,11-pentabromocyclododecyl)triphenyl-, bromide (1:1)
CAS No: 83949-31-9 Catalog No: AG004R5M MDL No:
Product Description
Catalog Number:
AG004R5M
Chemical Name:
Phosphonium,(2,5,6,10,11-pentabromocyclododecyl)triphenyl-, bromide (1:1)
CAS Number:
83949-31-9
Molecular Formula:
C30H33Br6P
Molecular Weight:
903.9808
IUPAC Name:
(2,5,6,10,11-pentabromocyclododecyl)-triphenylphosphanium;bromide
InChI:
InChI=1S/C30H33Br5P.BrH/c31-25-17-10-18-26(32)29(35)21-30(28(34)20-19-27(25)33)36(22-11-4-1-5-12-22,23-13-6-2-7-14-23)24-15-8-3-9-16-24;/h1-9,11-16,25-30H,10,17-21H2;1H/q+1;/p-1
InChI Key:
PLAPVJLKXWXNOF-UHFFFAOYSA-M
SMILES:
BrC1CCC(Br)C(Br)CCCC(C(CC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Br)Br.[Br-]
EC Number:
281-390-1
Properties
Complexity:
583
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
903.736g/mol
Formal Charge:
0
Heavy Atom Count:
37
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
903.992g/mol
Monoisotopic Mass:
897.742g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
6
Undefined Bond Stereocenter Count:
0
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