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89765-34-4 | Phosphonium, [(4-fluoro-3-phenoxyphenyl)methyl]triphenyl-, bromide
CAS No: 89765-34-4 Catalog No: AG0040JA MDL No:
Product Description
Catalog Number:
AG0040JA
Chemical Name:
Phosphonium, [(4-fluoro-3-phenoxyphenyl)methyl]triphenyl-, bromide
CAS Number:
89765-34-4
Molecular Formula:
C31H25BrFOP
Molecular Weight:
543.4058
IUPAC Name:
(4-fluoro-3-phenoxyphenyl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C31H25FOP.BrH/c32-30-22-21-25(23-31(30)33-26-13-5-1-6-14-26)24-34(27-15-7-2-8-16-27,28-17-9-3-10-18-28)29-19-11-4-12-20-29;/h1-23H,24H2;1H/q+1;/p-1
InChI Key:
OQENDCZUYYJXME-UHFFFAOYSA-M
SMILES:
Fc1ccc(cc1Oc1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
542.081g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
543.416g/mol
Monoisotopic Mass:
542.081g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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