2-(3-Chloro-propyl)-3-oxo-2,3-dihydro-indazole-1-carboxylic acid ethyl ester
Basic information
- Standard SMILES
CCOC(=O)n1c2ccccc2c(=O)n1CCCCl- InChIKey
XPKWBDMKJYIFEO-UHFFFAOYSA-N- Molecular formula
- C13H15ClN2O3
- Average molar mass
- 282.72 g/mol
- Monoisotopic mass
- 282.07712
Names & identifiers
- Preferred name
- 2-(3-Chloro-propyl)-3-oxo-2,3-dihydro-indazole-1-carboxylic acid ethyl ester
- IUPAC
- ethyl 2-(3-chloropropyl)-3-oxoindazole-1-carboxylate
Names & synonyms
2-(3-chloro-propyl)-3-oxo-2,3-dihydro-indazole-1-carboxylic acid ethyl esterSCHEMBL5109666XPKWBDMKJYIFEO-UHFFFAOYSA-N877624-07-2DB-337588
Database identifiers
- PubChem CID
- 69314746
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Related reactions
3 records
Compound notes
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