Summary

IMPPAT Phytochemical identifier: IMPHY016508

Phytochemical name: Allyl chloride

Synonymous chemical names:
allyl chloride

External chemical identifiers:
CID:7850, ChEMBL:CHEMBL451126, ChEBI:82379, ZINC:ZINC000001577258, FDASRS:V2RFT0R50S, SureChEMBL:SCHEMBL10938, MolPort-001-767-892

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Chemical structure information

SMILES:
ClCC=C

InChI:
InChI=1S/C3H5Cl/c1-2-3-4/h2H,1,3H2

InChIKey:
OSDWBNJEKMUWAV-UHFFFAOYSA-N

DeepSMILES:
ClCC=C

Functional groups:
C=CC, CCl

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Organochlorides

NP-Likeness score: 0.177

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Chemical structure download