(Perfluorobutyl)-4-bromophenylmethanol
Basic information
- CAS
1228786-78-4- Standard SMILES
OC(c1ccc(Br)cc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
ZEVIVKGHJDBGBM-UHFFFAOYSA-N- Molecular formula
- C11H6BrF9O
- Average molar mass
- 405.05 g/mol
- Monoisotopic mass
- 403.94583
Names & identifiers
- Preferred name
- (Perfluorobutyl)-4-bromophenylmethanol
- IUPAC
- 1-(4-bromophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol
Names & synonyms
(Perfluorobutyl)-4-bromophenylmethanolDTXSID308970061228786-78-4RefChem:210716DTXCID901326444ZEVIVKGHJDBGBM-UHFFFAOYSA-NNS001101451-(4-bromophenyl)-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-ol
Database identifiers
- CAS
1228786-78-4- PubChem CID
- 46217842
- DTXSID
DTXSID30897006
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 388
Experimental & physicochemical properties
PFAS
PFAS -> OECD Category
PFAS -> Other/unspecified
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
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Related reactions
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Compound notes
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