6-(tert-Butyl)-3-iodo-1H-indazole

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Basic information

CAS: 1167056-24-7
Standard SMILES: CC(C)(C)c1ccc2c(I)[nH]nc2c1
InChIKey: JUXHCNDTBZFDCR-UHFFFAOYSA-N
Molecular formula: C11H13IN2
Average molar mass: 300.14 g/mol
Monoisotopic mass: 300.01235

Names & identifiers

Preferred name: 6-(tert-Butyl)-3-iodo-1H-indazole
IUPAC: 6-tert-butyl-3-iodo-2H-indazole

Names & synonyms

6-(tert-Butyl)-3-iodo-1H-indazole1167056-24-76-tert-butyl-3-iodo-1H-indazoleSCHEMBL14738709JUXHCNDTBZFDCR-UHFFFAOYSA-N6-tert-butyl-3-iodo-2H-indazoleDTXSID801276397DB-1185556-(1,1-Dimethylethyl)-3-iodo-1H-indazole

Database identifiers

CAS: 1167056-24-7
PubChem CID: 53399640
DTXSID: DTXSID801276397

Properties

Computed structural properties

XLogP: 3.9
Topological polar surface area: 28.7 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 14
Formal charge: 0
Complexity: 212

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