Summary

IMPPAT Phytochemical identifier: IMPHY015246

Phytochemical name: 2-Bromododecane

Synonymous chemical names:
2-bromo-dodecane, 2-bromododecane

External chemical identifiers:
CID:98299, SureChEMBL:SCHEMBL1001129

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Chemical structure information

SMILES:
CCCCCCCCCCC(Br)C

InChI:
InChI=1S/C12H25Br/c1-3-4-5-6-7-8-9-10-11-12(2)13/h12H,3-11H2,1-2H3

InChIKey:
GIUUCQVKMWBSRT-UHFFFAOYSA-N

DeepSMILES:
CCCCCCCCCCCBr)C

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: 0.517

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Chemical structure download