Methyl 4-chloro-5-propylthiophene-2-carboxylate
Basic information
- CAS
1399656-69-9- Standard SMILES
CCCc1sc(C(=O)OC)cc1Cl- InChIKey
MYQOZXJFOCEWHE-UHFFFAOYSA-N- Molecular formula
- C9H11ClO2S
- Average molar mass
- 218.7 g/mol
- Monoisotopic mass
- 218.0168285
Names & identifiers
- Preferred name
- Methyl 4-chloro-5-propylthiophene-2-carboxylate
- IUPAC
- methyl 4-chloro-5-propylthiophene-2-carboxylate
Names & synonyms
1399656-69-9Methyl 4-chloro-5-propylthiophene-2-carboxylate4-Chloro-5-propyl-thiophene-2-carboxylic acid methyl esterDTXSID901183767Methyl4-chloro-5-propylthiophene-2-carboxylate2-Thiophenecarboxylic acid, 4-chloro-5-propyl-, methyl ester
Database identifiers
- CAS
1399656-69-9- PubChem CID
- 97034572
- DTXSID
DTXSID901183767
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 186
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…