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15109-97-4 | Phosphonium, [2-(2-furanyl)-2-oxoethyl]triphenyl-, bromide (1:1)
CAS No: 15109-97-4 Catalog No: AG001N2R MDL No:
Product Description
Catalog Number:
AG001N2R
Chemical Name:
Phosphonium, [2-(2-furanyl)-2-oxoethyl]triphenyl-, bromide (1:1)
CAS Number:
15109-97-4
Molecular Formula:
C24H20BrO2P
Molecular Weight:
451.2922
IUPAC Name:
[2-(furan-2-yl)-2-oxoethyl]-triphenylphosphanium;bromide
InChI:
InChI=1S/C24H20O2P.BrH/c25-23(24-17-10-18-26-24)19-27(20-11-4-1-5-12-20,21-13-6-2-7-14-21)22-15-8-3-9-16-22;/h1-18H,19H2;1H/q+1;/p-1
InChI Key:
XSGLMEDFSCBSCO-UHFFFAOYSA-M
SMILES:
O=C(c1ccco1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Br-]
Properties
Complexity:
427
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
450.038g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
451.3g/mol
Monoisotopic Mass:
450.038g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
30.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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