Basic information
- CAS
96543-77-0- Standard SMILES
O=C(O)c1ccc(C(=O)CCl)s1- InChIKey
BDYPBGQJEQRZDL-UHFFFAOYSA-N- Molecular formula
- C7H5ClO3S
- Average molar mass
- 204.63 g/mol
- Monoisotopic mass
- 203.9647929
Names & identifiers
- Preferred name
- 5-(Chloroacetyl)thiophene-2-carboxylic acid
- IUPAC
- 5-(2-chloroacetyl)thiophene-2-carboxylic acid
- English name
- 2-Thiophenecarboxylic acid, 5-(chloroacetyl)- (9CI)
- Molecular formula
- C7H5ClO3S
- Molecular weight
- 204.6308
Names & synonyms
96543-77-02-THIOPHENECARBOXYLIC ACID, 5-(CHLOROACETYL)-5-(Chloroacetyl)thiophene-2-carboxylic acidDTXSID30664270DB-2713275-(2-chloroacetyl)thiophene-2-carboxylic acid2-Thiophenecarboxylic acid, 5-(chloroacetyl)- (9CI)
Database identifiers
- CAS
96543-77-0- PubChem CID
- 45080997
- DTXSID
DTXSID30664270
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 207
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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