Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018042

Phytochemical name: 1-Bromo-11-iodoundecane

Synonymous chemical names:
1-Bromo-11-iodoundecane

External chemical identifiers:
CID:CID_549994

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Chemical structure information

SMILES:
BrCCCCCCCCCCCI

InChI:
InChI=1S/C11H22BrI/c12-10-8-6-4-2-1-3-5-7-9-11-13/h1-11H2

InChIKey:
YIAXRTMSPXAUAF-UHFFFAOYSA-N

DeepSMILES:
BrCCCCCCCCCCCI

Functional groups:
CBr, CI

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Organoiodides

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Halogenated hydrocarbons

NP-Likeness score: 0.169

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Chemical structure download