Basic information
- CAS
22098-19-7- Standard SMILES
O=C(O)C(O)c1ccc(Br)s1- InChIKey
HRBDUINNQFZKTF-UHFFFAOYSA-N- Molecular formula
- C6H5BrO3S
- Average molar mass
- 237.07 g/mol
- Monoisotopic mass
- 235.91428
Names & identifiers
- Preferred name
- 5-Bromo-alpha-hydroxy-2-thiopheneacetic acid
- IUPAC
- 2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid
Names & synonyms
22098-19-7RefChem:3019925-Bromo-alpha-hydroxy-2-thiopheneacetic acid2-(5-bromothiophen-2-yl)-2-hydroxyacetic acid(5-bromothienyl-2)glycolic acidSCHEMBL17459279DTXSID001273551AKOS010601567(5-Bromothiophen-2-yl)(hydroxy)acetic acid5-Bromo-I+/--hydroxy-2-thiopheneacetic acid2-Thiopheneacetic acid, 5-bromo-alpha-hydroxy-EN300-1259833
Database identifiers
- CAS
22098-19-7- PubChem CID
- 61345849
- DTXSID
DTXSID001273551
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 85.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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