Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID017991

Phytochemical name: 1-Bromooctadecane

Synonymous chemical names:
1-Bromooctadecane

External chemical identifiers:
CID:CID_8218, FDASRS:Z7M35JLL5U, Molport-001-779-903

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCBr

InChI:
InChI=1S/C18H37Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h2-18H2,1H3

InChIKey:
WSULSMOGMLRGKU-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCBr

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: 0.139

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Chemical structure download