Basic information
- Standard SMILES
O=C(O)C(=O)c1sc(Br)cc1Br- InChIKey
IAPOSBWVRYCPFF-UHFFFAOYSA-N- Molecular formula
- C6H2Br2O3S
- Average molar mass
- 313.95 g/mol
Names & identifiers
- Preferred name
- (3,5-Dibromothiophen-2-yl)-oxo-acetic acid
- IUPAC
- 2-(3,5-dibromothiophen-2-yl)-2-oxoacetic acid
Names & synonyms
SCHEMBL7042303IAPOSBWVRYCPFF-UHFFFAOYSA-N(3,5-dibromothiophen-2-yl)-oxo-acetic acid2-Thiopheneacetic acid, 3,5-dibromo-I+/--oxo-
Database identifiers
- PubChem CID
- 22997619
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 82.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 221
Experimental & physicochemical properties
SpringerMaterials PropertiesNuclear quadrupole resonance spectroscopy
Related reactions
2 records
Compound notes
Loading…