Tert-butyl 5-bromo-1h-indazole-3-carboxylate

HCID 67229813

Notes Reactions

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Basic information

Standard SMILES: CC(C)(C)OC(=O)c1n[nH]c2ccc(Br)cc12
InChIKey: GTNJYSHYBCIFTF-UHFFFAOYSA-N
Molecular formula: C12H13BrN2O2
Average molar mass: 297.15 g/mol

Names & identifiers

Preferred name: Tert-butyl 5-bromo-1h-indazole-3-carboxylate
IUPAC: tert-butyl 5-bromo-1H-indazole-3-carboxylate

Names & synonyms

tert-butyl 5-bromo-1h-indazole-3-carboxylate865886-98-21h-indazole-3-carboxylic acid,5-bromo-,1,1-dimethylethyl esterSCHEMBL1964170GTNJYSHYBCIFTF-UHFFFAOYSA-NDB-433584tert-butyl 5-bromo-1H-indazole-carboxylatetert-butyl5-bromo-1h-indazole-3-carboxylateEN300-18777219

Database identifiers

PubChem CID: 67229813

Properties

Computed structural properties

XLogP: 3.4
Topological polar surface area: 55 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 303

Related reactions

1 records

New reaction record

HRID 2284558As reactantuspto-grants-2015_09

Compound notes

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