Structure Information
Structure

Compound Identification

SMILES

OC(=O)C=CCC1=CC=C(C=C1)N(CCCl)CCCl

InChIKey

InChIKey=AUNYHNXSFIQPES-UHFFFAOYSA-N

Formula

C14H17Cl2NO2

Mass

302.2

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Taxonomic Classification

Taxonomy Tree

Kingdom

Organic compounds

Superclass

Organic nitrogen compounds

Class

Organonitrogen compounds

Subclass

Nitrogen mustard compounds

Intermediate Tree Nodes

Not available

Direct Parent

Nitrogen mustard compounds

Alternative Parents

Molecular Framework

Aromatic homomonocyclic compounds

Substituents

Nitrogen mustard - Tertiary aliphatic/aromatic amine - Dialkylarylamine - Aniline or substituted anilines - Monocyclic benzene moiety - Benzenoid - Amino acid - Tertiary amine - Amino acid or derivatives - Carboxylic acid derivative - Carboxylic acid - Monocarboxylic acid or derivatives - Hydrocarbon derivative - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Carbonyl group - Alkyl chloride - Organic oxide - Amine - Alkyl halide - Aromatic homomonocyclic compound

Description

This compound belongs to the class of organic compounds known as nitrogen mustard compounds. These are compounds having two beta-haloalkyl groups bound to a nitrogen atom.

External Descriptors

Not available

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