3-[(4-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid
Basic information
- CAS
339009-58-4- Standard SMILES
O=C(O)c1sccc1OCc1ccc(Cl)cc1- InChIKey
PYVFVAJZMRXLTE-UHFFFAOYSA-N- Molecular formula
- C12H9ClO3S
- Average molar mass
- 268.72 g/mol
- Monoisotopic mass
- 267.996093
Names & identifiers
- Preferred name
- 3-[(4-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid
- IUPAC
- 3-[(4-chlorophenyl)methoxy]thiophene-2-carboxylic acid
- English name
- 3-[(4-Chlorobenzyl)oxy]-2-thiophenecarboxylic acid
- Molecular formula
- C12H9ClO3S
- Molecular weight
- 268.72
Names & synonyms
339009-58-43-[(4-chlorobenzyl)oxy]-2-thiophenecarboxylic acid3-[(4-chlorophenyl)methoxy]thiophene-2-carboxylic Acid3-((4-Chlorobenzyl)oxy)thiophene-2-carboxylic acid3-(4-CHLORO-BENZYLOXY)-THIOPHENE-2-CARBOXYLIC ACIDMFCD00173490Oprea1_709460SCHEMBL6892098DTXSID80377368AKOS005071004AB04350DB-048522
Show more names
3-[(4-chlorophenyl)methoxy]-2-thiophenecarboxylic acid2-Thiophenecarboxylic acid, 3-[(4-chlorophenyl)methoxy]-
7F-042G849793-((4-Chlorobenzyl)oxy)thiophene-2-carboxylicacidF4491453-[(4-Chlorobenzyl)oxy]-2-thiophene-carboxylic acid
Database identifiers
- CAS
339009-58-4- PubChem CID
- 2764232
- DTXSID
DTXSID80377368
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 158 · 158-159°C
- Boiling point
- 435.8 · 435.8±35.0 °C(Predicted)
- Density
- 1.428 · 1.428±0.06 g/cm3(Predicted)
- pka
- 3.58 · 3.58±0.10(Predicted)
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
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Related reactions
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Compound notes
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