(2-Methoxybenzyl)triphenylphosphonium Chloride - CAS 52045-25-7
Catalog: |
BB060164 |
Product Name: |
(2-Methoxybenzyl)triphenylphosphonium Chloride |
CAS: |
52045-25-7 |
Synonyms: |
[(2-Methoxyphenyl)methyl](triphenyl)phosphanium chloride; (2-Methoxybenzyl)triphenylphosphonium chloride; (2-methoxyphenyl)methyl-triphenylphosphanium; chloride |
IUPAC Name: | (2-methoxyphenyl)methyl-triphenylphosphaniumchloride |
Description: | (2-Methoxybenzyl)triphenylphosphonium Chloride is an intermediate in the synthesis of 1-Hydroxychrysene (H905335), a hydroxylated metabolite of Chrysene (C428000) used in biological study to alter the synthesis of androgens and estrogens in carp gonads. |
Molecular Weight: | 418.89 |
Molecular Formula: | C26H24ClOP |
Canonical SMILES: | COC1=CC=CC=C1C[P+](C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-] |
InChI: | InChI=1S/C26H24OP.ClH/c1-27-26-20-12-11-13-22(26)21-28(23-14-5-2-6-15-23,24-16-7-3-8-17-24)25-18-9-4-10-19-25/h2-20H,21H2,1H31H/q+1/p-1 |
InChI Key: | TZRCYVSSZNAXEW-UHFFFAOYSA-M |
References: | Jorgensen, K. et al. Poly. Arom. Comp., 28, 362 (2008); Fernandes, D., et. al. Sci. Total Environ., 447, 152 (2013). |
Complexity: | 400 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 418.1253301 |
Formal Charge: | 0 |
Heavy Atom Count: | 29 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 418.1253301 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 9.2Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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