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Basic information
- Standard SMILES
CCOCn1nccc1C(O)c1ccc(OCC(=O)OCC)c(Cl)c1Cl- InChIKey
FASXZKDJUYYPLJ-UHFFFAOYSA-N- Molecular formula
- C17H20Cl2N2O5
- Average molar mass
- 403.3 g/mol
- Monoisotopic mass
- 402.0749271
Names & identifiers
- Preferred name
- alpha-(1-Ethoxymethyl-5-pyrazolyl)-2,3-dichloro-4-ethoxycarbonylmethoxybenzylalcohol
- IUPAC
- ethyl 2-[2,3-dichloro-4-[[2-(ethoxymethyl)pyrazol-3-yl]-hydroxymethyl]phenoxy]acetate
Names & synonyms
SCHEMBL10554886FASXZKDJUYYPLJ-UHFFFAOYSA-Nalpha-(1-ethoxymethyl-5-pyrazolyl)-2,3-dichloro-4-ethoxycarbonylmethoxybenzylalcohol
Database identifiers
- PubChem CID
- 20030167
Properties
Computed structural propertiesFilling in
- XLogP
- 2.8
- Topological polar surface area
- 82.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 445
Related reactions
4 records
Compound notes
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