Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017934

Phytochemical name: 1-Bromodocosane

Synonymous chemical names:
1-Bromodocosane

External chemical identifiers:
CID:CID_81355, Molport-003-927-053

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCBr

InChI:
InChI=1S/C22H45Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23/h2-22H2,1H3

InChIKey:
QYOXLKAKUAASNA-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCBr

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: 0.115

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Chemical structure download