Basic information
- CAS
6866-58-6- Standard SMILES
FC(F)(F)C(F)(F)C(F)(F)c1nc2ccc(Cl)cc2[nH]1- InChIKey
RVOKGYWHSLJNQR-UHFFFAOYSA-N- Molecular formula
- C10H4ClF7N2
- Average molar mass
- 320.59 g/mol
- Monoisotopic mass
- 319.995123
Names & identifiers
- Preferred name
- 6-Chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole
- IUPAC
- 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole
Names & synonyms
6866-58-66-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazoleRefChem:1073861BENZIMIDAZOLE, 5(or 6)-CHLORO-2-(HEPTAFLUOROPROPYL)-BRN 05614035(or 6)-Chloro-2-(heptafluoropropyl)benzimidazoleDTXSID802188085-Chloro-2-(heptafluoropropyl)benzimidazoleNS001115586-Chloro-2-(heptafluoropropyl)-1H-1,3-benzimidazole5-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-1H-benzimidazole
Database identifiers
- CAS
6866-58-6- PubChem CID
- 23299
- DTXSID
DTXSID80218808
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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