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54314-85-1 | [3-(Benzyloxy)propyl]triphenylphosphonium Bromide
CAS No: 54314-85-1 Catalog No: AG003CR7 MDL No:MFCD00191781
Product Description
Catalog Number:
AG003CR7
Chemical Name:
[3-(Benzyloxy)propyl]triphenylphosphonium Bromide
CAS Number:
54314-85-1
Molecular Formula:
C28H28BrOP
Molecular Weight:
491.3991
MDL Number:
MFCD00191781
IUPAC Name:
triphenyl(3-phenylmethoxypropyl)phosphanium;bromide
InChI:
InChI=1S/C28H28OP.BrH/c1-5-14-25(15-6-1)24-29-22-13-23-30(26-16-7-2-8-17-26,27-18-9-3-10-19-27)28-20-11-4-12-21-28;/h1-12,14-21H,13,22-24H2;1H/q+1;/p-1
InChI Key:
DWYCJWXMZGVGJV-UHFFFAOYSA-M
SMILES:
c1ccc(cc1)COCCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.106g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
491.409g/mol
Monoisotopic Mass:
490.106g/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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