Compound Identification
SMILES
OC(=O)C1=C(Cl)C=CC(=C1)C1=CC=C(O1)C=NNC1=NC2=NON=C2N=C1NC1=CC=CC=C1F
InChIKey
InChIKey=XXNPEDWWYRIJFR-UHFFFAOYSA-N
Formula
C22H13ClFN7O4
Mass
493.84
Taxonomic Classification
Taxonomy Tree
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Kingdom
Organic compounds
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Superclass
Benzenoids
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Class
Benzene and substituted derivatives
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Subclass
Benzoic acids and derivatives
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Level 5
Halobenzoic acids and derivatives
- Level 6 Halobenzoic acids
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Level 5
Halobenzoic acids and derivatives
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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 Benzoic acids 1-carboxy-2-haloaromatic compounds Aniline and substituted anilines Benzoyl derivatives Aminopyrazines Chlorobenzenes Fluorobenzenes Aryl chlorides Aryl fluorides Imidolactams Vinylogous halides Heteroaromatic compounds Furazans Furans Oxacyclic compounds Azacyclic compounds Monocarboxylic acids and derivatives Hydrazones Organic oxides Organochlorides Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives Organofluorides
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
Halobenzoic acid - 2-halobenzoic acid - 2-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Aniline or substituted anilines - 1-carboxy-2-haloaromatic compound - Aminopyrazine - Halobenzene - Fluorobenzene - Chlorobenzene - Aryl chloride - Aryl fluoride - Aryl halide - Pyrazine - Imidolactam - Vinylogous halide - Oxadiazole - Heteroaromatic compound - Furan - Furazan - Azole - Oxacycle - Azacycle - Carboxylic acid derivative - Carboxylic acid - Organoheterocyclic compound - Hydrazone - Monocarboxylic acid or derivatives - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organofluoride - Organochloride - Hydrocarbon derivative - Organic nitrogen compound - Organohalogen compound - Aromatic heteropolycyclic 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