2,4,5-Tribromo-3-thiophenecarboxylic acid
Basic information
- CAS
16694-22-7- Standard SMILES
O=C(O)c1c(Br)sc(Br)c1Br- InChIKey
YKTZXJNNXXBHKE-UHFFFAOYSA-N- Molecular formula
- C5HBr3O2S
- Average molar mass
- 364.84 g/mol
- Monoisotopic mass
- 361.72474
Names & identifiers
- Preferred name
- 2,4,5-Tribromo-3-thiophenecarboxylic acid
- IUPAC
- 2,4,5-tribromothiophene-3-carboxylic acid
- English name
- 2,4,5-Tribromo-3-thiophenecarboxylic acid
- Molecular formula
- C5HBr3O2S
- Molecular weight
- 364.84
Names & synonyms
2,4,5-Tribromo-3-thiophenecarboxylic acid16694-22-7DTXSID60348213RefChem:245545DTXCID502992852,4,5-tribromothiophene-3-carboxylic acid3-Thiophenecarboxylic acid, 2,4,5-tribromo-SCHEMBL15878019YKTZXJNNXXBHKE-UHFFFAOYSA-N2,4,5-Tribromo-3-thiophenecarboxylic acid #
Database identifiers
- CAS
16694-22-7- PubChem CID
- 632521
- DTXSID
DTXSID60348213- Nikkaji
- J110.683J
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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