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16415-21-7 | Phosphonium, (3-oxo-3-phenyl-1-propen-1-yl)triphenyl-, bromide (1:1)
CAS No: 16415-21-7 Catalog No: AG001UOB MDL No:
Product Description
Catalog Number:
AG001UOB
Chemical Name:
Phosphonium, (3-oxo-3-phenyl-1-propen-1-yl)triphenyl-, bromide (1:1)
CAS Number:
16415-21-7
Molecular Formula:
C27H22BrOP
Molecular Weight:
473.3407
IUPAC Name:
(3-oxo-3-phenylprop-1-enyl)-triphenylphosphanium;bromide
InChI:
InChI=1S/C27H22OP.BrH/c28-27(23-13-5-1-6-14-23)21-22-29(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-22H;1H/q+1;/p-1
InChI Key:
GFJZSCVHHSXROS-UHFFFAOYSA-M
SMILES:
O=C(c1ccccc1)C=C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
472.059g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
473.35g/mol
Monoisotopic Mass:
472.059g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
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