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18812-25-4 | Phosphonium, [[5-(methoxycarbonyl)-2-furanyl]methyl]triphenyl-, chloride (1:1)
CAS No: 18812-25-4 Catalog No: AG002GQG MDL No:
Product Description
Catalog Number:
AG002GQG
Chemical Name:
Phosphonium, [[5-(methoxycarbonyl)-2-furanyl]methyl]triphenyl-, chloride (1:1)
CAS Number:
18812-25-4
Molecular Formula:
C25H22ClO3P
Molecular Weight:
436.8671
IUPAC Name:
(5-methoxycarbonylfuran-2-yl)methyl-triphenylphosphanium;chloride
InChI:
InChI=1S/C25H22O3P.ClH/c1-27-25(26)24-18-17-20(28-24)19-29(21-11-5-2-6-12-21,22-13-7-3-8-14-22)23-15-9-4-10-16-23;/h2-18H,19H2,1H3;1H/q+1;/p-1
InChI Key:
KTGREZCEIJRYCP-UHFFFAOYSA-M
SMILES:
COC(=O)c1ccc(o1)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
Properties
Complexity:
473
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
436.1g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
436.872g/mol
Monoisotopic Mass:
436.1g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
39.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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