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918884-81-8 | Isoxazolium, 2-(1,1-dimethylethyl)-5-(2-methylphenyl)-, perchlorate (1:1)
CAS No: 918884-81-8 Catalog No: AG006MH1 MDL No:
Product Description
Catalog Number:
AG006MH1
Chemical Name:
Isoxazolium, 2-(1,1-dimethylethyl)-5-(2-methylphenyl)-, perchlorate (1:1)
CAS Number:
918884-81-8
Molecular Formula:
C14H18ClNO5
Molecular Weight:
315.7494
IUPAC Name:
2-tert-butyl-5-(2-methylphenyl)-1,2-oxazol-2-ium;perchlorate
InChI:
InChI=1S/C14H18NO.ClHO4/c1-11-7-5-6-8-12(11)13-9-10-15(16-13)14(2,3)4;2-1(3,4)5/h5-10H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
UPJYWMVPLCGDMC-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.Cc1ccccc1c1cc[n+](o1)C(C)(C)C
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
315.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
315.75g/mol
Monoisotopic Mass:
315.087g/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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