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918884-95-4 | Isoxazolium, 2-(1,1-dimethylethyl)-5-(2,4-dimethylphenyl)-, perchlorate(1:1)
CAS No: 918884-95-4 Catalog No: AG006ANO MDL No:
Product Description
Catalog Number:
AG006ANO
Chemical Name:
Isoxazolium, 2-(1,1-dimethylethyl)-5-(2,4-dimethylphenyl)-, perchlorate(1:1)
CAS Number:
918884-95-4
Molecular Formula:
C15H20ClNO5
Molecular Weight:
329.7760
IUPAC Name:
2-tert-butyl-5-(2,4-dimethylphenyl)-1,2-oxazol-2-ium;perchlorate
InChI:
InChI=1S/C15H20NO.ClHO4/c1-11-6-7-13(12(2)10-11)14-8-9-16(17-14)15(3,4)5;2-1(3,4)5/h6-10H,1-5H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
GFWHESQWGRAFBO-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1ccc(c(c1)C)c1cc[n+](o1)C(C)(C)C
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
329.103g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
329.777g/mol
Monoisotopic Mass:
329.103g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
91.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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