Summary

IMPPAT Phytochemical identifier: IMPHY012017

Phytochemical name: 2-Chloroethanol

Synonymous chemical names:
2-chloroethanol

External chemical identifiers:
CID:34, ChEMBL:CHEMBL191244, ChEBI:28200, ZINC:ZINC000008220697, FDASRS:753N66IHAN, SureChEMBL:SCHEMBL24987, MolPort-000-872-024

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Chemical structure information

SMILES:
OCCCl

InChI:
InChI=1S/C2H5ClO/c3-1-2-4/h4H,1-2H2

InChIKey:
SZIFAVKTNFCBPC-UHFFFAOYSA-N

DeepSMILES:
OCCCl

Functional groups:
CCl, CO

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organohalogen compounds

ClassyFire Class: Halohydrins

ClassyFire Subclass: Chlorohydrins

NP Classifier Biosynthetic pathway: Fatty acids

NP Classifier Superclass: Fatty acyls

NP Classifier Class: Fatty alcohols

NP-Likeness score: 0.467

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Chemical structure download