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CHEBI:85613 - 2-bromo-2-{[(4-methylphenyl)sulfonyl]methyl}-1-indanone

ChEBI IDCHEBI:85613
ChEBI Name2-bromo-2-{[(4-methylphenyl)sulfonyl]methyl}-1-indanone
Stars
DefinitionA member of the class of indanones that is 1-indanone substituted at position 2 by bromo and [(4-methylphenyl)sulfonyl]methyl groups.
Last Modified30 April 2015
SubmitterSteve
DownloadsMolfile
FormulaC17H15BrO3S
Net Charge0
Average Mass379.275
Monoisotopic Mass377.99253
SMILESCc1ccc(S(=O)(=O)CC2(Br)Cc3ccccc3C2=O)cc1
InChIInChI=1S/C17H15BrO3S/c1-12-6-8-14(9-7-12)22(20,21)11-17(18)10-13-4-2-3-5-15(13)16(17)19/h2-9H,10-11H2,1H3
InChIKeyXPXBWHGWVJYCKM-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
2-bromo-2-{[(4-methylphenyl)sulfonyl]methyl}-1-indanone (CHEBI:85613) is a indanones (CHEBI:24789)
2-bromo-2-{[(4-methylphenyl)sulfonyl]methyl}-1-indanone (CHEBI:85613) is a sulfone (CHEBI:35850)
2-bromo-2-{[(4-methylphenyl)sulfonyl]methyl}-1-indanone (CHEBI:85613) is a α-bromoketone (CHEBI:51843)
IUPAC Name 
2-bromo-2-[(4-methylbenzene-1-sulfonyl)methyl]-2,3-dihydro-1H-inden-1-one
Synonym  Source
NSC 280891ChemIDplus
Registry NumbersSources
Reaxys:2390636Reaxys
CAS:72848-61-4ChemIDplus
Citations