Basic information
- CAS
133380-41-3- Standard SMILES
COC(=O)c1ccc(C(=O)Cl)s1- InChIKey
FQNCKWMJTDVYKS-UHFFFAOYSA-N- Molecular formula
- C7H5ClO3S
- Average molar mass
- 204.63 g/mol
- Monoisotopic mass
- 203.9647929
Names & identifiers
- Preferred name
- Methyl 5-(chlorocarbonyl)thiophene-2-carboxylate
- IUPAC
- methyl 5-carbonochloridoylthiophene-2-carboxylate
- English name
- 2-Thiophenecarboxylic acid, 5-(chlorocarbonyl)-, methyl ester (9CI)
- Molecular formula
- C7H5ClO3S
- Molecular weight
- 204.63
Names & synonyms
133380-41-3methyl 5-(chlorocarbonyl)thiophene-2-carboxylate2-Thiophenecarboxylic acid, 5-(chlorocarbonyl)-, methyl ester (9CI)methyl 5-carbonochloridoylthiophene-2-carboxylateSCHEMBL1587055DTXSID40617939FQNCKWMJTDVYKS-UHFFFAOYSA-NDB-0917772-Thiophenecarboxylic acid, 5-(chlorocarbonyl)-, methyl ester
Database identifiers
- CAS
133380-41-3- PubChem CID
- 21779986
- DTXSID
DTXSID40617939
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 71.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
3 records
Compound notes
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