4,6-Difluoro-1-benzothiophene-2-carboxylic acid
Basic information
- CAS
826995-56-6- Standard SMILES
O=C(O)c1cc2c(F)cc(F)cc2s1- InChIKey
RLSMMULSYJJIAT-UHFFFAOYSA-N- Molecular formula
- C9H4F2O2S
- Average molar mass
- 214.19 g/mol
- Monoisotopic mass
- 213.99000686
Names & identifiers
- Preferred name
- 4,6-Difluoro-1-benzothiophene-2-carboxylic acid
- IUPAC
- 4,6-difluoro-1-benzothiophene-2-carboxylic acid
Names & synonyms
826995-56-64,6-Difluorobenzo[b]thiophene-2-carboxylic acid4,6-Difluoro-1-benzothiophene-2-carboxylic acid4,6-Difluorobenzothiophene-2-carboxylic AcidBenzo[b]thiophene-2-carboxylic acid, 4,6-difluoro-DTXSID10837228MFCD07377092SY371751
Database identifiers
- CAS
826995-56-6- PubChem CID
- 71417898
- DTXSID
DTXSID10837228
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 249
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Compound notes
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