tert-butyl 5-(difluoromethoxy)-3-iodo-1H-indazole-1-carboxylate

HCID 71279601
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Basic information

CAS
1426425-60-6
Standard SMILES
CC(C)(C)OC(=O)n1nc(I)c2cc(OC(F)F)ccc21
InChIKey
AQNFSGLHPTUFEK-UHFFFAOYSA-N
Molecular formula
C13H13F2IN2O3
Average molar mass
410.15 g/mol
Monoisotopic mass
409.99389672

Names & identifiers

Preferred name
tert-butyl 5-(difluoromethoxy)-3-iodo-1H-indazole-1-carboxylate
IUPAC
tert-butyl 5-(difluoromethoxy)-3-iodoindazole-1-carboxylate

Names & synonyms

tert-butyl 5-(difluoromethoxy)-3-iodo-1H-indazole-1-carboxylate1426425-60-6SCHEMBL14737311DTXSID201129956DB-1181991H-Indazole-1-carboxylic acid, 5-(difluoromethoxy)-3-iodo-, 1,1-dimethylethyl ester

Database identifiers

CAS
1426425-60-6
PubChem CID
71279601
DTXSID
DTXSID201129956

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
53.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
21

Related reactions

2 records
New reaction record

Compound notes

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