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918885-19-5 | Isoxazolium, 2-(1-ethyl-1-methylpropyl)-5-(4-methylphenyl)-, perchlorate(1:1)
CAS No: 918885-19-5 Catalog No: AG006ANN MDL No:
Product Description
Catalog Number:
AG006ANN
Chemical Name:
Isoxazolium, 2-(1-ethyl-1-methylpropyl)-5-(4-methylphenyl)-, perchlorate(1:1)
CAS Number:
918885-19-5
Molecular Formula:
C16H22ClNO5
Molecular Weight:
343.8026
IUPAC Name:
2-(3-methylpentan-3-yl)-5-(4-methylphenyl)-1,2-oxazol-2-ium;perchlorate
InChI:
InChI=1S/C16H22NO.ClHO4/c1-5-16(4,6-2)17-12-11-15(18-17)14-9-7-13(3)8-10-14;2-1(3,4)5/h7-12H,5-6H2,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
FRQSSTMUUPKVRX-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.CCC([n+]1ccc(o1)c1ccc(cc1)C)(CC)C
Properties
Complexity:
350
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
343.119g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
343.804g/mol
Monoisotopic Mass:
343.119g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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