Ethyl 2-(4-iodo-3-methyl-1H-pyrazol-1-yl)acetate
Basic information
- CAS
1354704-28-1- Standard SMILES
CCOC(=O)Cn1cc(I)c(C)n1- InChIKey
PQJKIOKVGRWDKQ-UHFFFAOYSA-N- Molecular formula
- C8H11IN2O2
- Average molar mass
- 294.09 g/mol
- Monoisotopic mass
- 293.98653
Names & identifiers
- Preferred name
- Ethyl 2-(4-iodo-3-methyl-1H-pyrazol-1-yl)acetate
- IUPAC
- ethyl 2-(4-iodo-3-methylpyrazol-1-yl)acetate
- English name
- (4-Iodo-3-methyl-pyrazol-1-yl)-acetic acid ethyl ester
- Molecular formula
- C8H11IN2O2
- Molecular weight
- 294.09
Names & synonyms
1354704-28-1Ethyl 2-(4-iodo-3-methyl-1H-pyrazol-1-yl)acetateethyl (4-iodo-3-methyl-1H-pyrazol-1-yl)acetateethyl 2-(4-iodo-3-methylpyrazol-1-yl)acetateEthyl2-(4-iodo-3-methyl-1H-pyrazol-1-yl)acetate(4-IODO-3-METHYL-PYRAZOL-1-YL)-ACETIC ACID ETHYL ESTERSBB074119DTXSID801201314EEC70428STL415478AKOS015920990ethyl 2-(4-iodo-3-methylpyrazolyl)acetate
Show more names
EN300-2327861H-Pyrazole-1-acetic acid, 4-iodo-3-methyl-, ethyl ester
Database identifiers
- CAS
1354704-28-1- PubChem CID
- 60136732
- DTXSID
DTXSID801201314
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 44.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 329.5 · 329.5±32.0 °C(Predicted)
- Density
- 1.75 · 1.75±0.1 g/cm3(Predicted)
- pka
- 0.22 · 0.22±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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