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85067-05-6 | Phosphonium, (3-oxocyclohexyl)triphenyl-, perchlorate
CAS No: 85067-05-6 Catalog No: AG004YEC MDL No:
Product Description
Catalog Number:
AG004YEC
Chemical Name:
Phosphonium, (3-oxocyclohexyl)triphenyl-, perchlorate
CAS Number:
85067-05-6
Molecular Formula:
C24H24ClO5P
Molecular Weight:
458.8711
IUPAC Name:
(3-oxocyclohexyl)-triphenylphosphanium;perchlorate
InChI:
InChI=1S/C24H24OP.ClHO4/c25-20-11-10-18-24(19-20)26(21-12-4-1-5-13-21,22-14-6-2-7-15-22)23-16-8-3-9-17-23;2-1(3,4)5/h1-9,12-17,24H,10-11,18-19H2;(H,2,3,4,5)/q+1;/p-1
InChI Key:
PUKXQPNCWSGCIB-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.O=C1CCCC(C1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1
Properties
Complexity:
505
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
458.105g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
458.875g/mol
Monoisotopic Mass:
458.105g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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