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CHEBI:229245 - 3-Chloroaniline

ChEBI IDCHEBI:229245
ChEBI Name3-Chloroaniline
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC6H6ClN
Net Charge0
Average Mass127.574
Monoisotopic Mass127.01888
SMILESNc1cccc(Cl)c1
InChIInChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChIKeyPNPCRKVUWYDDST-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Oryctolagus cuniculus (ncbitaxon:9986) longissimus thoracis (BTO:0001651) MetaboLights (MTBLS8957)
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
3-Chloroaniline (CHEBI:229245) is a substituted aniline (CHEBI:48975)
IUPAC Name 
3-chloroaniline
Manual XrefsDatabases
HMDB0245839HMDB
13869451ChemSpider
Registry NumbersSources
CAS:108-42-9ChemIDplus