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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:44903 - 2,3,4,5,6-pentafluorobenzyl alcohol
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ChEBI Ontology
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ChEBI Name
2,3,4,5,6-pentafluorobenzyl alcohol
ChEBI ID
CHEBI:44903
Definition
An organofluorine compound that is benzyl alcohol substituted by fluoro groups at positions 2, 3, 4, 5 and 6.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C7H3F5O
Net Charge
0
Average Mass
198.09010
Monoisotopic Mass
198.01041
InChI
InChI=1S/C7H3F5O/c8-3-2(1-13)4(9)6(11)7(12)5(3)10/h13H,1H2
InChIKey
PGJYYCIOYBZTPU-UHFFFAOYSA-N
SMILES
OCc1c(F)c(F)c(F)c(F)c1F
ChEBI Ontology
Outgoing
2,3,4,5,6-pentafluorobenzyl alcohol (
CHEBI:44903
)
is a
benzyl alcohols (
CHEBI:22743
)
2,3,4,5,6-pentafluorobenzyl alcohol (
CHEBI:44903
)
is a
organofluorine compound (
CHEBI:37143
)
IUPAC Name
(pentafluorophenyl)methanol
Synonym
Source
pentafluorobenzyl alcohol
NIST Chemistry WebBook
Manual Xref
Database
PFB
PDBeChem
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Registry Numbers
Types
Sources
2052669
Reaxys Registry Number
Reaxys
440-60-8
CAS Registry Number
ChemIDplus
440-60-8
CAS Registry Number
NIST Chemistry WebBook
Citations
Types
Sources
12501206
PubMed citation
Europe PMC
8172897
PubMed citation
Europe PMC
Last Modified
27 August 2014