Summary

IMPPAT Phytochemical identifier: IMPHY017560

Phytochemical name: 2-Chloro-2-methylbutane

Synonymous chemical names:
butane,2-chloro-2-methyl-.

External chemical identifiers:
CID:61143, ZINC:ZINC000001586305, FDASRS:QO6BZZ3FGR, SureChEMBL:SCHEMBL331880, MolPort-001-783-747

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Chemical structure information

SMILES:
CCC(Cl)(C)C

InChI:
InChI=1S/C5H11Cl/c1-4-5(2,3)6/h4H2,1-3H3

InChIKey:
CRNIHJHMEQZAAS-UHFFFAOYSA-N

DeepSMILES:
CCCCl)C)C

Functional groups:
CCl

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Organochlorides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Oxygenated hydrocarbons

NP-Likeness score: -0.143

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Chemical structure download