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28746-23-8 | Phosphonium, [[3-(methoxymethyl)-2-methylphenyl]methyl]triphenyl-, bromide (1:1)
CAS No: 28746-23-8 Catalog No: AG002WC8 MDL No:
Product Description
Catalog Number:
AG002WC8
Chemical Name:
Phosphonium, [[3-(methoxymethyl)-2-methylphenyl]methyl]triphenyl-, bromide (1:1)
CAS Number:
28746-23-8
Molecular Formula:
C28H28BrOP
Molecular Weight:
491.3991
IUPAC Name:
[3-(methoxymethyl)-2-methylphenyl]methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C28H28OP.BrH/c1-23-24(21-29-2)13-12-14-25(23)22-30(26-15-6-3-7-16-26,27-17-8-4-9-18-27)28-19-10-5-11-20-28;/h3-20H,21-22H2,1-2H3;1H/q+1;/p-1
InChI Key:
KGGZHNRCCFRIDK-UHFFFAOYSA-M
SMILES:
COCc1cccc(c1C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
441
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
490.106g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
491.409g/mol
Monoisotopic Mass:
490.106g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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