Chloromethyl Thiophene-2-carboxylate
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Basic information
- CAS
121585-21-5- Standard SMILES
O=C(OCCl)c1cccs1- InChIKey
MZXRBRZQONZAJP-UHFFFAOYSA-N- Molecular formula
- C6H5ClO2S
- Average molar mass
- 176.62 g/mol
- Monoisotopic mass
- 175.96987808
Names & identifiers
- Preferred name
- Chloromethyl Thiophene-2-carboxylate
- IUPAC
- chloromethyl thiophene-2-carboxylate
Names & synonyms
Chloromethyl Thiophene-2-carboxylate121585-21-52-Thiophenecarboxylic acid, chloromethyl esterSCHEMBL6830087DTXSID30456874MZXRBRZQONZAJP-UHFFFAOYSA-NChloromethyl 2-thiopbenecarboxylateDB-297106
Database identifiers
- CAS
121585-21-5- PubChem CID
- 11148043
- DTXSID
DTXSID30456874- Nikkaji
- J1.784.654J
Properties
Computed structural propertiesFilling in
- XLogP
- 2.7
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 129
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Related reactions
1 records
Compound notes
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