Propane, 2-chloro-2-nitro- (CHEBI:229348)

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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	Propane, 2-chloro-2-nitro-

ChEBI ID	CHEBI:229348

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

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Formula

C3H6ClNO2

Net Charge

Average Mass

123.540

Monoisotopic Mass

123.00871

InChI

InChI=1S/C3H6ClNO2/c1-3(2,4)5(6)7/h1-2H3

InChIKey

JQYFSFNSNVRUPY-UHFFFAOYSA-N

SMILES

ClC([N+]([O-])=O)(C)C

Metabolite of Species	Details
Oryctolagus cuniculus (NCBI:txid9986)	Found in longissimus thoracis (BTO:0001651). See: MetaboLights Study

ChEBI Ontology
Outgoing	Propane, 2-chloro-2-nitro- (CHEBI:229348) is a C-nitro compound (CHEBI:35716)

IUPAC Name

2-chloro-2-nitropropane

Registry Number	Type	Source
594-71-8	CAS Registry Number	ChemIDplus