Compound Identification
SMILES
Cl.CCN(CC)CCO.OC(=O)C1=CC=C(Cl)C=C1
InChIKey
InChIKey=YSVHKGRYSUJYBK-UHFFFAOYSA-N
Formula
C13H21Cl2NO3
Mass
310.22
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
4-halobenzoic acids Benzoic acids Benzoyl derivatives Chlorobenzenes Aryl chlorides Trialkylamines 1,2-aminoalcohols Carboxylic acids Primary alcohols Organopnictogen compounds Organochlorides Organic oxides Hydrochlorides Hydrocarbon derivatives
Molecular Framework
Not available
Substituents
4-halobenzoic acid or derivatives - 4-halobenzoic acid - Halobenzoic acid - Benzoic acid - Benzoyl - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Tertiary aliphatic amine - Tertiary amine - 1,2-aminoalcohol - Alkanolamine - Carboxylic acid derivative - Carboxylic acid - Organic oxygen compound - Organohalogen compound - Organopnictogen compound - Hydrochloride - Organochloride - Organonitrogen compound - Hydrocarbon derivative - Organooxygen compound - Alcohol - Organic oxide - Amine - Primary alcohol - Organic nitrogen compound - 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