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18880-05-2 | Phosphonium, [(3-methoxyphenyl)methyl]triphenyl-, chloride (1:1)
CAS No: 18880-05-2 Catalog No: AG002HC0 MDL No:MFCD09836189
Product Description
Catalog Number:
AG002HC0
Chemical Name:
Phosphonium, [(3-methoxyphenyl)methyl]triphenyl-, chloride (1:1)
CAS Number:
18880-05-2
Molecular Formula:
C26H24ClOP
Molecular Weight:
418.8949
MDL Number:
MFCD09836189
IUPAC Name:
(3-methoxyphenyl)methyl-triphenylphosphanium;chloride
InChI:
InChI=1S/C26H24OP.ClH/c1-27-23-13-11-12-22(20-23)21-28(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:
DPYDLIVUYPUXBV-UHFFFAOYSA-M
SMILES:
COc1cccc(c1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
418.125g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
418.901g/mol
Monoisotopic Mass:
418.125g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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