Benzoic acid, 4-(2-thienyl)-, ethyl ester
Basic information
- CAS
75601-33-1- Standard SMILES
CCOC(=O)c1ccc(-c2cccs2)cc1- InChIKey
HUGDGQUJYNNTSA-UHFFFAOYSA-N- Molecular formula
- C13H12O2S
- Average molar mass
- 232.3 g/mol
- Monoisotopic mass
- 232.05580079
Names & identifiers
- Preferred name
- Benzoic acid, 4-(2-thienyl)-, ethyl ester
- IUPAC
- ethyl 4-thiophen-2-ylbenzoate
- English name
- 4-(2-Thienyl)benzoic acid ethyl ester
- Molecular weight
- 0
Names & synonyms
Benzoic acid, 4-(2-thienyl)-, ethyl esterDTXSID5034545875601-33-1RefChem:327423DTXCID90296531ethyl 4-(thiophen-2-yl)benzoate4-(2-Thienyl)benzoic acid ethyl esterSCHEMBL2003093Ethyl 4-(2-thienyl)benzoate #HUGDGQUJYNNTSA-UHFFFAOYSA-NEthyl 4-(2-thienyl)benzoate
Database identifiers
- CAS
75601-33-1- PubChem CID
- 604589
- DTXSID
DTXSID50345458- Nikkaji
- J141.175F
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 234
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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