2-Thiophenecarboxylic acid, 5-bromo-4-(methoxymethyl)-
Basic information
- CAS
1229627-41-1- Standard SMILES
COCc1cc(C(=O)O)sc1Br- InChIKey
XUXQFWKSLOLZMU-UHFFFAOYSA-N- Molecular formula
- C7H7BrO3S
- Average molar mass
- 251.1 g/mol
- Monoisotopic mass
- 249.92993
Names & identifiers
- Preferred name
- 2-Thiophenecarboxylic acid, 5-bromo-4-(methoxymethyl)-
- IUPAC
- 5-bromo-4-(methoxymethyl)thiophene-2-carboxylic acid
Names & synonyms
1229627-41-12-Thiophenecarboxylic acid, 5-bromo-4-(methoxymethyl)-SCHEMBL20894374DTXSID301208365AKOS0159965425-bromo-4-(methoxymethyl)thiophene-2-carboxylic acid
Database identifiers
- CAS
1229627-41-1- PubChem CID
- 66545641
- DTXSID
DTXSID301208365
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 74.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 176
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Compound notes
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