Summary

IMPPAT Phytochemical identifier: IMPPAT3_PHYID018121

Phytochemical name: 4-Bromo-2-methylbut-1-ene

Synonymous chemical names:
4-Bromo-2-methylbut-1-ene

External chemical identifiers:
CID:CID_549585, Molport-023-331-177

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Chemical structure information

SMILES:
CC(=C)CCBr

InChI:
InChI=1S/C5H9Br/c1-5(2)3-4-6/h1,3-4H2,2H3

InChIKey:
IZMWJUPSQXIVDN-UHFFFAOYSA-N

DeepSMILES:
CC=C)CCBr

Functional groups:
C=C(C)C, CBr

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Organobromides

NP Classifier Biosynthetic pathway: Terpenoids

NP Classifier Superclass: Monoterpenoids

NP Classifier Class: Acyclic monoterpenoids

NP-Likeness score: 0.642

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Chemical structure download