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87989-00-2 | Isoxazolium, 4-azido-2,5-bis(1,1-dimethylethyl)-, perchlorate
CAS No: 87989-00-2 Catalog No: AG008EEE MDL No:
Product Description
Catalog Number:
AG008EEE
Chemical Name:
Isoxazolium, 4-azido-2,5-bis(1,1-dimethylethyl)-, perchlorate
CAS Number:
87989-00-2
Molecular Formula:
C11H19ClN4O5
Molecular Weight:
322.7454
IUPAC Name:
4-azido-2,5-ditert-butyl-1,2-oxazol-2-ium;perchlorate
InChI:
InChI=1S/C11H19N4O.ClHO4/c1-10(2,3)9-8(13-14-12)7-15(16-9)11(4,5)6;2-1(3,4)5/h7H,1-6H3;(H,2,3,4,5)/q+1;/p-1
InChI Key:
CTDBXTXCFUGVMB-UHFFFAOYSA-M
SMILES:
[O-][Cl](=O)(=O)=O.[N-]=[N+]=Nc1c[n+](oc1C(C)(C)C)C(C)(C)C
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
322.104g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
322.746g/mol
Monoisotopic Mass:
322.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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