2-Hydroxyphenyl 5-bromo-4-methylthiophene-2-carboxylate
Basic information
- CAS
54796-52-0- Standard SMILES
Cc1cc(C(=O)Oc2ccccc2O)sc1Br- InChIKey
LZHOFDPOXMXIMC-UHFFFAOYSA-N- Molecular formula
- C12H9BrO3S
- Average molar mass
- 313.17 g/mol
- Monoisotopic mass
- 311.94558
Names & identifiers
- Preferred name
- 2-Hydroxyphenyl 5-bromo-4-methylthiophene-2-carboxylate
- IUPAC
- (2-hydroxyphenyl) 5-bromo-4-methylthiophene-2-carboxylate
Names & synonyms
54796-52-02-Hydroxyphenyl 5-bromo-4-methylthiophene-2-carboxylateDTXSID60787966
Database identifiers
- CAS
54796-52-0- PubChem CID
- 71364501
- DTXSID
DTXSID60787966
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…