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28241-32-9 | Phosphonium, [(3,5-dimethyl-4-isoxazolyl)methyl]triphenyl-, chloride
CAS No: 28241-32-9 Catalog No: AG007L1Y MDL No:
Product Description
Catalog Number:
AG007L1Y
Chemical Name:
Phosphonium, [(3,5-dimethyl-4-isoxazolyl)methyl]triphenyl-, chloride
CAS Number:
28241-32-9
Molecular Formula:
C24H23ClNOP
Molecular Weight:
407.8723
IUPAC Name:
(3,5-dimethyl-1,2-oxazol-4-yl)methyl-triphenylphosphanium;chloride
InChI:
InChI=1S/C24H23NOP.ClH/c1-19-24(20(2)26-25-19)18-27(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;/h3-17H,18H2,1-2H3;1H/q+1;/p-1
InChI Key:
KFOHZYYNAVQQQO-UHFFFAOYSA-M
SMILES:
Cc1onc(c1C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C.[Cl-]
Properties
Complexity:
406
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.121g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
407.878g/mol
Monoisotopic Mass:
407.121g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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