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89244-41-7 | Phosphonium, [(2-methoxy-6-methylphenyl)methyl]triphenyl-, bromide
CAS No: 89244-41-7 Catalog No: AG0042NE MDL No:
Product Description
Catalog Number:
AG0042NE
Chemical Name:
Phosphonium, [(2-methoxy-6-methylphenyl)methyl]triphenyl-, bromide
CAS Number:
89244-41-7
Molecular Formula:
C27H26BrOP
Molecular Weight:
477.3725
IUPAC Name:
(2-methoxy-6-methylphenyl)methyl-triphenylphosphanium;bromide
InChI:
InChI=1S/C27H26OP.BrH/c1-22-13-12-20-27(28-2)26(22)21-29(23-14-6-3-7-15-23,24-16-8-4-9-17-24)25-18-10-5-11-19-25;/h3-20H,21H2,1-2H3;1H/q+1;/p-1
InChI Key:
GCYWBJISSSQKNV-UHFFFAOYSA-M
SMILES:
COc1cccc(c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[Br-]
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.09g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.382g/mol
Monoisotopic Mass:
476.09g/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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