1-Azido-3,3-Dimethyl-1,2-Benziodoxole - CAS 175786-57-9
Catalog: |
BB074145 |
Product Name: |
1-Azido-3,3-Dimethyl-1,2-Benziodoxole |
CAS: |
175786-57-9 |
Synonyms: |
1-Azido-3,3-dimethyl-1,2-benziodoxole; [3,3-Dimethyl-1,2-benziodoxol-1(3H)-yl] azide; (3,3-dimethyl-1lambda5,2-benziodoxol-1-ylidyne)azaniumyliminoazanide; Alcohol azidoiodane; 1-Azido-3,3-dimethylbenziodoxole; 1-Azido-3,3-dimethylbenzioxodole |
IUPAC Name: | 1-azido-3,3-dimethyl-1λ3,2-benziodoxole |
Molecular Weight: | 303.1 |
Molecular Formula: | C9H10IN3O |
Canonical SMILES: | CC1(C2=CC=CC=C2I(O1)N=[N+]=[N-])C |
InChI: | InChI=1S/C9H10IN3O/c1-9(2)7-5-3-4-6-8(7)10(14-9)12-13-11/h3-6H,1-2H3 |
InChI Key: | OTZWPGNZJFLZLU-UHFFFAOYSA-N |
Complexity: | 275 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 302.98686 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 302.98686 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 23.6Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 1 |
XLogP3: | 4.1 |
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