Compound Identification
SMILES
[OH-].C[N+](C)(C)CC1=CC=CC=C1.OC(=O)C1=C(Cl)C=CC(Cl)=C1Cl
InChIKey
InChIKey=FRUXPFDUBOFTCS-UHFFFAOYSA-M
Formula
C17H20Cl3NO3
Mass
392.7
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
-
Subclass
Benzoic acids and derivatives
-
Level 5
Halobenzoic acids and derivatives
- Level 6 Halobenzoic acids
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Level 5
Halobenzoic acids and derivatives
-
Subclass
Benzoic acids and derivatives
-
Class
Benzene and substituted derivatives
-
Superclass
Benzenoids
Kingdom
Organic compounds
Superclass
Benzenoids
Class
Benzene and substituted derivatives
Subclass
Benzoic acids and derivatives
Intermediate Tree Nodes
Halobenzoic acids and derivatives
Direct Parent
Halobenzoic acids
Alternative Parents
2-halobenzoic acids 3-halobenzoic acids Benzoic acids Phenylmethylamines 1-carboxy-2-haloaromatic compounds Benzoyl derivatives Benzylamines Aralkylamines Chlorobenzenes Aryl chlorides Vinylogous halides Tetraalkylammonium salts Organooxygen compounds Hydrocarbon derivatives Organic oxides Organic oxoanionic compounds Organic salts Organochlorides Organic cations
Molecular Framework
Not available
Substituents
2-halobenzoic acid or derivatives - 3-halobenzoic acid or derivatives - 2-halobenzoic acid - 3-halobenzoic acid - Halobenzoic acid - Benzoic acid - Phenylmethylamine - 1-carboxy-2-haloaromatic compound - Benzoyl - Benzylamine - Aralkylamine - Chlorobenzene - Halobenzene - Aryl halide - Aryl chloride - Quaternary ammonium salt - Tetraalkylammonium salt - Vinylogous halide - Carboxylic acid derivative - Carboxylic acid - Organic hydroxide - Organohalogen compound - Organooxygen compound - Amine - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organochloride - Organonitrogen compound - Organic cation - Aromatic homomonocyclic compound
Description
This compound belongs to the class of organic compounds known as halobenzoic acids. These are benzoic acids carrying a halogen atom on the benzene ring.
External Descriptors
Not available