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125078-72-0 | Phosphonium, (2-oxo-2-phenylethyl-2-14C)triphenyl-, bromide (9CI)
CAS No: 125078-72-0 Catalog No: AG000N3X MDL No:
Product Description
Catalog Number:
AG000N3X
Chemical Name:
Phosphonium, (2-oxo-2-phenylethyl-2-14C)triphenyl-, bromide (9CI)
CAS Number:
125078-72-0
Molecular Formula:
C26H22ClOP
Molecular Weight:
416.8790
IUPAC Name:
phenacyl(triphenyl)phosphanium;chloride
InChI:
InChI=1S/C26H22OP.ClH/c27-26(22-13-5-1-6-14-22)21-28(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:
OWTCGJRBQMOICX-UHFFFAOYSA-M
SMILES:
O=C(c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
416.11g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.885g/mol
Monoisotopic Mass:
416.11g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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