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51044-13-4 | (4-Bromobenzyl)triphenylphosphonium bromide
CAS No: 51044-13-4 Catalog No: AG003AYC MDL No:MFCD00051922
Product Description
Catalog Number:
AG003AYC
Chemical Name:
(4-Bromobenzyl)triphenylphosphonium bromide
CAS Number:
51044-13-4
Molecular Formula:
C25H21Br2P
Molecular Weight:
512.2160
MDL Number:
MFCD00051922
IUPAC Name:
(4-bromophenyl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C25H21BrP.BrH/c26-22-18-16-21(17-19-22)20-27(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25;/h1-19H,20H2;1H/q+1;/p-1
InChI Key:
FQJYKXVQABPCRA-UHFFFAOYSA-M
SMILES:
Brc1ccc(cc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
378
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
511.973g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
512.225g/mol
Monoisotopic Mass:
509.975g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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