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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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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