4-iodo-1-isopropyl-1H-indazole-6-carboxylic acid methyl ester

HCID 59627768

Basic information

CAS
1258940-59-8
Standard SMILES
COC(=O)c1cc(I)c2cnn(C(C)C)c2c1
InChIKey
HKRIRGVJFHROBS-UHFFFAOYSA-N
Molecular formula
C12H13IN2O2
Average molar mass
344.15 g/mol
Monoisotopic mass
344.00217566

Names & identifiers

Preferred name
4-iodo-1-isopropyl-1H-indazole-6-carboxylic acid methyl ester
IUPAC
methyl 4-iodo-1-propan-2-ylindazole-6-carboxylate

Names & synonyms

SCHEMBL2729557HKRIRGVJFHROBS-UHFFFAOYSA-NDTXSID9011542814-iodo-1-isopropyl-1H-indazole-6-carboxylic acid methyl ester1258940-59-8Methyl 4-iodo-1-(propan-2-yl)-1H-indazole-6-carboxylate1H-Indazole-6-carboxylic acid, 4-iodo-1-(1-methylethyl)-, methyl ester

Database identifiers

CAS
1258940-59-8
PubChem CID
59627768
DTXSID
DTXSID901154281

Properties

Computed structural properties

XLogP
2.8
Topological polar surface area
44.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17

Related reactions

6 records

Compound notes

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