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Home > Other Heterocycles > 97720-16-6
97720-16-6 | 1-(4-AZIDOPHENYL)-4-TERT-BUTYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
CAS No: 97720-16-6 Catalog No: AG005YFJ MDL No:
Product Description
Catalog Number:
AG005YFJ
Chemical Name:
1-(4-AZIDOPHENYL)-4-TERT-BUTYL-2,6,7-TRIOXABICYCLO[2.2.2]OCTANE
CAS Number:
97720-16-6
Molecular Formula:
C15H19N3O3
Molecular Weight:
289.3297
IUPAC Name:
1-(4-azidophenyl)-4-tert-butyl-2,6,7-trioxabicyclo[2.2.2]octane
InChI:
InChI=1S/C15H19N3O3/c1-13(2,3)14-8-19-15(20-9-14,21-10-14)11-4-6-12(7-5-11)17-18-16/h4-7H,8-10H2,1-3H3
InChI Key:
WWTAEIBBMIEIJI-UHFFFAOYSA-N
SMILES:
CC(C12COC(OC1)(OC2)c1ccc(cc1)N=[N+]=[N-])(C)C
Properties
Complexity:
421
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
289.143g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
289.335g/mol
Monoisotopic Mass:
289.143g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
42A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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