Summary

IMPPAT Phytochemical identifier: IMPHY013776

Phytochemical name: 1-Bromopentadecane

Synonymous chemical names:
pentadecyl bromide

External chemical identifiers:
CID:12394, ChEMBL:CHEMBL3183401, ZINC:ZINC000095731499, SureChEMBL:SCHEMBL422449, MolPort-003-927-261

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCBr

InChI:
InChI=1S/C15H31Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16/h2-15H2,1H3

InChIKey:
JKOTZBXSNOGCIF-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCBr

Functional groups:
CBr

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Organobromides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Hydrocarbons

NP-Likeness score: 0.165

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Chemical structure download