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CHEBI:60700 - 6-bromohexanoic acid
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ChEBI Name
6-bromohexanoic acid
ChEBI ID
CHEBI:60700
Definition
An organobromine compound comprising hexanoic acid having a bromo substituent at the 6-position.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C6H11BrO2
Net Charge
0
Average Mass
195.05400
Monoisotopic Mass
193.99424
InChI
InChI=1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)
InChIKey
NVRVNSHHLPQGCU-UHFFFAOYSA-N
SMILES
OC(=O)CCCCCBr
ChEBI Ontology
Outgoing
6-bromohexanoic acid (
CHEBI:60700
)
has functional parent
hexanoic acid (
CHEBI:30776
)
6-bromohexanoic acid (
CHEBI:60700
)
is a
organobromine compound (
CHEBI:37141
)
Incoming
6-bromohexanoyl group (
CHEBI:60668
)
is substituent group from
6-bromohexanoic acid (
CHEBI:60700
)
IUPAC Name
6-bromohexanoic acid
Synonyms
Sources
6-Bromo-n-caproic acid
NIST Chemistry WebBook
6-Bromocaproic acid
NIST Chemistry WebBook
Registry Numbers
Types
Sources
1749740
Reaxys Registry Number
Reaxys
4224-70-8
CAS Registry Number
ChemIDplus
4224-70-8
CAS Registry Number
NIST Chemistry WebBook
Last Modified
30 November 2010