CHEBI:229245 - 3-Chloroaniline

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.
ChEBI Name 3-Chloroaniline
ChEBI ID CHEBI:229245
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C6H6ClN
Net Charge 0
Average Mass 127.570
Monoisotopic Mass 127.01888
InChI InChI=1S/C6H6ClN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2
InChIKey PNPCRKVUWYDDST-UHFFFAOYSA-N
SMILES ClC=1C=C(N)C=CC1
Metabolite of Species Details
Oryctolagus cuniculus (NCBI:txid9986) Found in longissimus thoracis (BTO:0001651). See: MetaboLights Study
Roles Classification
Chemical Role(s): Bronsted base
A molecular entity capable of accepting a hydron from a donor (Bronsted acid).
(via organic amino compound )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 3-Chloroaniline (CHEBI:229245) is a substituted aniline (CHEBI:48975)
IUPAC Name
3-chloroaniline
Manual Xrefs Databases
13869451 ChemSpider
HMDB0245839 HMDB
View more database links
Registry Number Type Source
108-42-9 CAS Registry Number ChemIDplus