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146346-92-1 | Phosphonium, [(4-butoxyphenyl)methyl]triphenyl-, bromide (1:1)
CAS No: 146346-92-1 Catalog No: AG001DXK MDL No:
Product Description
Catalog Number:
AG001DXK
Chemical Name:
Phosphonium, [(4-butoxyphenyl)methyl]triphenyl-, bromide (1:1)
CAS Number:
146346-92-1
Molecular Formula:
C29H30BrOP
Molecular Weight:
505.4257
IUPAC Name:
(4-butoxyphenyl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C29H30OP.BrH/c1-2-3-23-30-26-21-19-25(20-22-26)24-31(27-13-7-4-8-14-27,28-15-9-5-10-16-28)29-17-11-6-12-18-29;/h4-22H,2-3,23-24H2,1H3;1H/q+1;/p-1
InChI Key:
DYBCXFJUMGEGBX-UHFFFAOYSA-M
SMILES:
CCCCOc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
504.122g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
505.436g/mol
Monoisotopic Mass:
504.122g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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