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63368-37-6 | (3-Methylbenzyl)triphenylphosphonium chloride
CAS No: 63368-37-6 Catalog No: AG003BSU MDL No:MFCD00031579
Product Description
Catalog Number:
AG003BSU
Chemical Name:
(3-Methylbenzyl)triphenylphosphonium chloride
CAS Number:
63368-37-6
Molecular Formula:
C26H24ClP
Molecular Weight:
402.8955
MDL Number:
MFCD00031579
IUPAC Name:
(3-methylphenyl)methyl-triphenylphosphanium;chloride
InChI:
InChI=1S/C26H24P.ClH/c1-22-12-11-13-23(20-22)21-27(24-14-5-2-6-15-24,25-16-7-3-8-17-25)26-18-9-4-10-19-26;/h2-20H,21H2,1H3;1H/q+1;/p-1
InChI Key:
BNGXYYYYKUGPPF-UHFFFAOYSA-M
SMILES:
Cc1cccc(c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
402.13g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
402.902g/mol
Monoisotopic Mass:
402.13g/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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