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102690-40-4 | Phosphonium, (2-oxo-2-phenoxyethyl)triphenyl-, bromide (1:1)
CAS No: 102690-40-4 Catalog No: AG00084P MDL No:
Product Description
Catalog Number:
AG00084P
Chemical Name:
Phosphonium, (2-oxo-2-phenoxyethyl)triphenyl-, bromide (1:1)
CAS Number:
102690-40-4
Molecular Formula:
C26H22BrO2P
Molecular Weight:
477.3294
IUPAC Name:
(2-oxo-2-phenoxyethyl)-triphenylphosphanium;bromide
InChI:
InChI=1S/C26H22O2P.BrH/c27-26(28-22-13-5-1-6-14-22)21-29(23-15-7-2-8-16-23,24-17-9-3-10-18-24)25-19-11-4-12-20-25;/h1-20H,21H2;1H/q+1;/p-1
InChI Key:
GKQDVHDFVYQDNV-UHFFFAOYSA-M
SMILES:
O=C(C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)Oc1ccccc1.[Br-]
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.054g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.338g/mol
Monoisotopic Mass:
476.054g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
26.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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