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132565-91-4 | Phosphonium, [2-oxo-1,2-bis(phenylmethoxy)ethyl]triphenyl-, bromide (1:1)
CAS No: 132565-91-4 Catalog No: AG0010TS MDL No:
Product Description
Catalog Number:
AG0010TS
Chemical Name:
Phosphonium, [2-oxo-1,2-bis(phenylmethoxy)ethyl]triphenyl-, bromide (1:1)
CAS Number:
132565-91-4
Molecular Formula:
C34H30BrO3P
Molecular Weight:
597.4780
IUPAC Name:
[2-oxo-1,2-bis(phenylmethoxy)ethyl]-triphenylphosphanium;bromide
InChI:
InChI=1S/C34H30O3P.BrH/c35-33(36-26-28-16-6-1-7-17-28)34(37-27-29-18-8-2-9-19-29)38(30-20-10-3-11-21-30,31-22-12-4-13-23-31)32-24-14-5-15-25-32;/h1-25,34H,26-27H2;1H/q+1;/p-1
InChI Key:
FBGHGBYJPNLOCE-UHFFFAOYSA-M
SMILES:
O=C(C([P+](c1ccccc1)(c1ccccc1)c1ccccc1)OCc1ccccc1)OCc1ccccc1.[Br-]
Properties
Complexity:
634
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
596.112g/mol
Formal Charge:
0
Heavy Atom Count:
39
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
597.489g/mol
Monoisotopic Mass:
596.112g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
35.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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