Anthranilic acid, N-(m-(trifluoromethylthio)phenyl)-
Basic information
- CAS
40942-28-7- Standard SMILES
O=C(O)c1ccccc1Nc1cccc(SC(F)(F)F)c1- InChIKey
SDGATCBJNWVONW-UHFFFAOYSA-N- Molecular formula
- C14H10F3NO2S
- Average molar mass
- 313.3 g/mol
- Monoisotopic mass
- 313.03843422
Names & identifiers
- Preferred name
- Anthranilic acid, N-(m-(trifluoromethylthio)phenyl)-
- IUPAC
- 2-[3-(trifluoromethylsulfanyl)anilino]benzoic acid
Names & synonyms
BRN 2154720Anthranilic acid, N-(m-(trifluoromethylthio)phenyl)-40942-28-7N-(m-(Trifluoromethylthio)phenyl)anthranilic acidDTXSID00193941RefChem:319833DTXCID40116432SCHEMBL118834982-{3-[(Trifluoromethyl)sulfanyl]anilino}benzoic acid
Database identifiers
- CAS
40942-28-7- PubChem CID
- 218607
- DTXSID
DTXSID00193941
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 74.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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