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6048-29-9 | (2-Oxo-2-phenylethyl)triphenylphosphonium bromide
CAS No: 6048-29-9 Catalog No: AG003TNT MDL No:MFCD00011920
Product Description
Catalog Number:
AG003TNT
Chemical Name:
(2-Oxo-2-phenylethyl)triphenylphosphonium bromide
CAS Number:
6048-29-9
Molecular Formula:
C26H22BrOP
Molecular Weight:
461.3300
MDL Number:
MFCD00011920
IUPAC Name:
phenacyl(triphenyl)phosphanium;bromide
InChI:
InChI=1S/C26H22OP.BrH/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:
AEHDSYHVTDJGDN-UHFFFAOYSA-M
SMILES:
O=C(c1ccccc1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
EC Number:
227-945-3
NSC Number:
6743
Properties
Complexity:
431
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
460.059g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
461.339g/mol
Monoisotopic Mass:
460.059g/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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