Summary

IMPPAT Phytochemical identifier: IMPHY015176

Phytochemical name: 1-Bromotriacontane

Synonymous chemical names:
1-bromo-triacontane, 1-bromotriacontane

External chemical identifiers:
CID:521082, SureChEMBL:SCHEMBL5575813

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Chemical structure information

SMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr

InChI:
InChI=1S/C30H61Br/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31/h2-30H2,1H3

InChIKey:
SFVIZKWTUKBDIY-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCCCBr

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: 0.085

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Chemical structure download