Summary

IMPPAT Phytochemical identifier: IMPHY006008

Phytochemical name: Benzene, bromoethenyl-

Synonymous chemical names:
bromostyrene

External chemical identifiers:
CID:7667, MolPort-009-755-087

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Chemical structure information

SMILES:
BrC=Cc1ccccc1

InChI:
InChI=1S/C8H7Br/c9-7-6-8-4-2-1-3-5-8/h1-7H

InChIKey:
YMOONIIMQBGTDU-UHFFFAOYSA-N

DeepSMILES:
BrC=Ccccccc6

Functional groups:
cC=CBr

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Styrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP-Likeness score: 0.494

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Chemical structure download