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17954-76-6 | Phosphonium, [3-(2-formylphenoxy)propyl]triphenyl-, bromide (1:1)
CAS No: 17954-76-6 Catalog No: AG002736 MDL No:
Product Description
Catalog Number:
AG002736
Chemical Name:
Phosphonium, [3-(2-formylphenoxy)propyl]triphenyl-, bromide (1:1)
CAS Number:
17954-76-6
Molecular Formula:
C28H26BrO2P
Molecular Weight:
505.3826
IUPAC Name:
3-(2-formylphenoxy)propyl-triphenylphosphanium
InChI:
InChI=1S/C28H26O2P/c29-23-24-13-10-11-20-28(24)30-21-12-22-31(25-14-4-1-5-15-25,26-16-6-2-7-17-26)27-18-8-3-9-19-27/h1-11,13-20,23H,12,21-22H2/q+1
InChI Key:
KDEGOEYTFUEZGW-UHFFFAOYSA-N
SMILES:
O=Cc1ccccc1OCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
425.167g/mol
Formal Charge:
1
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
425.488g/mol
Monoisotopic Mass:
425.167g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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