2-Bromothiophene-3-boronic acid
Basic information
- CAS
1315339-49-1- Standard SMILES
OB(O)c1ccsc1Br- InChIKey
XMWRXAXBGLEFQQ-UHFFFAOYSA-N- Molecular formula
- C4H4BBrO2S
- Average molar mass
- 206.86 g/mol
- Monoisotopic mass
- 205.92084
Names & identifiers
- Preferred name
- 2-Bromothiophene-3-boronic acid
- IUPAC
- (2-bromothiophen-3-yl)boronic acid
Names & synonyms
2-Bromothiophene-3-boronic acid1315339-49-1Boronic acid, B-(2-bromo-3-thienyl)-SCHEMBL28342953DTXSID801289809(2-bromothiophen-3-yl)boronic acidB-(2-Bromo-3-thienyl)boronic acidMFCD12026718AKOS015892657DB-027906DB-400433
Database identifiers
- CAS
1315339-49-1- PubChem CID
- 44558142
- DTXSID
DTXSID801289809
Properties
Computed structural properties
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 103
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Related reactions
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Compound notes
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