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
- Formal charge
- 0
- Complexity
- 298
Related reactions
6 records
Compound notes
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