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148776-18-5 | Phosphonium, (2-oxo-1-phenyl-3-pyrrolidinyl)triphenyl-, bromide (1:1)
CAS No: 148776-18-5 Catalog No: AG001L7G MDL No:
Product Description
Catalog Number:
AG001L7G
Chemical Name:
Phosphonium, (2-oxo-1-phenyl-3-pyrrolidinyl)triphenyl-, bromide (1:1)
CAS Number:
148776-18-5
Molecular Formula:
C28H25BrNOP
Molecular Weight:
502.3820
IUPAC Name:
(2-oxo-1-phenylpyrrolidin-3-yl)-triphenylphosphanium;bromide
InChI:
InChI=1S/C28H25NOP.BrH/c30-28-27(21-22-29(28)23-13-5-1-6-14-23)31(24-15-7-2-8-16-24,25-17-9-3-10-18-25)26-19-11-4-12-20-26;/h1-20,27H,21-22H2;1H/q+1;/p-1
InChI Key:
BCUCCIAFGPPTLS-UHFFFAOYSA-M
SMILES:
O=C1N(CCC1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
536
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
501.086g/mol
Formal Charge:
0
Heavy Atom Count:
32
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
502.392g/mol
Monoisotopic Mass:
501.086g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
20.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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