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85514-52-9 | (4-BENZYLOXYBUTYL)TRIPHENYLPHOSPHONIUM BROMIDE
CAS No: 85514-52-9 Catalog No: AG004MR4 MDL No:MFCD11040433
Product Description
Catalog Number:
AG004MR4
Chemical Name:
(4-BENZYLOXYBUTYL)TRIPHENYLPHOSPHONIUM BROMIDE
CAS Number:
85514-52-9
Molecular Formula:
C29H30BrOP
Molecular Weight:
505.4257
MDL Number:
MFCD11040433
IUPAC Name:
triphenyl(4-phenylmethoxybutyl)phosphanium;bromide
InChI:
InChI=1S/C29H30OP.BrH/c1-5-15-26(16-6-1)25-30-23-13-14-24-31(27-17-7-2-8-18-27,28-19-9-3-10-20-28)29-21-11-4-12-22-29;/h1-12,15-22H,13-14,23-25H2;1H/q+1;/p-1
InChI Key:
ULBXULZCIYCNGO-UHFFFAOYSA-M
SMILES:
C(OCc1ccccc1)CCC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
422
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:
10
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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