Basic information
- CAS
6242-07-5- Standard SMILES
CCOC(=O)C1=C(C)C(Cl)=N/C1=C\c1[nH]c(Cl)c(C)c1C(=O)OCC- InChIKey
WZORZTRCOMWTBQ-UHFFFAOYSA-N- Molecular formula
- C17H18Cl2N2O4
- Average molar mass
- 385.2 g/mol
- Monoisotopic mass
- 384.0643624
Names & identifiers
- Preferred name
- ethyl (2Z)-5-chloro-2-[(5-chloro-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrole-3-carboxylate
- IUPAC
- ethyl (2Z)-5-chloro-2-[(5-chloro-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)methylidene]-4-methylpyrrole-3-carboxylate
- English name
- ethyl 5-chloro-2-[(5-chloro-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)m ethylidene]-4-methyl-pyrrole-3-carboxylate
- Molecular formula
- C17H18Cl2N2O4
- Molecular weight
- 385.24
Names & synonyms
NSC22703NSC-227036242-07-5ethyl 5-chloro-2-[(5-chloro-3-ethoxycarbonyl-4-methyl-1H-pyrrol-2-yl)m ethylidene]-4-methyl-pyrrole-3-carboxylate
Database identifiers
- CAS
6242-07-5- PubChem CID
- 6283397
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 80.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 657
Physicochemical properties
- Melting point
- 177.5 · 177.5-177.8 °C
- Boiling point
- 571.519 · 571.519±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.369 · 1.369±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 14.581 · 14.581±0.50(predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…