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CHEBI:60700 - 6-bromohexanoic acid

ChEBI IDCHEBI:60700
ChEBI Name6-bromohexanoic acid
Stars
DefinitionAn organobromine compound comprising hexanoic acid having a bromo substituent at the 6-position.
Last Modified30 November 2010
Submitterzjosephs
DownloadsMolfile
FormulaC6H11BrO2
Net Charge0
Average Mass195.056
Monoisotopic Mass193.99424
SMILESO=C(O)CCCCCBr
InChIInChI=1S/C6H11BrO2/c7-5-3-1-2-4-6(8)9/h1-5H2,(H,8,9)
InChIKeyNVRVNSHHLPQGCU-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-bromohexanoic acid (CHEBI:60700) has functional parent hexanoic acid (CHEBI:30776)
6-bromohexanoic acid (CHEBI:60700) is a organobromine compound (CHEBI:37141)
Incoming Relation(s)
6-bromohexanoyl group (CHEBI:60668) is substituent group from 6-bromohexanoic acid (CHEBI:60700)
IUPAC Name 
6-bromohexanoic acid
Synonyms  Source
6-Bromocaproic acidNIST Chemistry WebBook
6-Bromo-n-caproic acidNIST Chemistry WebBook
Registry NumbersSources
Reaxys:1749740Reaxys
CAS:4224-70-8ChemIDplus
CAS:4224-70-8NIST Chemistry WebBook