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114430-55-6 | Phosphonium, [(5-acetyl-2-furanyl)methyl]triphenyl-, bromide (1:1)
CAS No: 114430-55-6 Catalog No: AG000BC3 MDL No:
Product Description
Catalog Number:
AG000BC3
Chemical Name:
Phosphonium, [(5-acetyl-2-furanyl)methyl]triphenyl-, bromide (1:1)
CAS Number:
114430-55-6
Molecular Formula:
C25H22BrO2P
Molecular Weight:
465.3187
IUPAC Name:
(5-acetylfuran-2-yl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C25H22O2P.BrH/c1-20(26)25-18-17-21(27-25)19-28(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24;/h2-18H,19H2,1H3;1H/q+1;/p-1
InChI Key:
REAHNVKJSKENPJ-UHFFFAOYSA-M
SMILES:
CC(=O)c1ccc(o1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
455
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
464.054g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
465.327g/mol
Monoisotopic Mass:
464.054g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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