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87988-98-5 | Isoxazolium, 4-azido-2-(1,1-dimethylethyl)-5-methyl-, perchlorate
CAS No: 87988-98-5 Catalog No: AG008EEF MDL No:
Product Description
Catalog Number:
AG008EEF
Chemical Name:
Isoxazolium, 4-azido-2-(1,1-dimethylethyl)-5-methyl-, perchlorate
CAS Number:
87988-98-5
Molecular Formula:
C8H13ClN4O5
Molecular Weight:
280.6656
IUPAC Name:
4-azido-2-tert-butyl-5-methyl-1,2-oxazol-2-ium;perchlorate
InChI:
InChI=1S/C8H13N4O.ClHO4/c1-6-7(10-11-9)5-12(13-6)8(2,3)4;2-1(3,4)5/h5H,1-4H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
XGJMQUOKADJWAU-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.[N-]=[N+]=Nc1c[n+](oc1C)C(C)(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.057g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
280.665g/mol
Monoisotopic Mass:
280.057g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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