Compound Identification
SMILES
[O-][N+](=O)C1=C(Cl)C=CC(=C1)C(=O)NC1=NC2=C(S1)C=C(Br)C=C2
InChIKey
InChIKey=VWIHSYIUQYXIDW-UHFFFAOYSA-N
Formula
C14H7BrClN3O3S
Mass
412.64
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted derivatives
- Subclass Benzoic acids and derivatives
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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
4-halobenzoic acids and derivatives
Alternative Parents
Benzamides Benzothiazoles Nitrobenzenes Benzoyl derivatives Nitroaromatic compounds Chlorobenzenes Aryl bromides Aryl chlorides Thiazoles Heteroaromatic compounds Secondary carboxylic acid amides Propargyl-type 1,3-dipolar organic compounds Azacyclic compounds Organic oxoazanium compounds Hydrocarbon derivatives Organic oxides Organic salts Organic zwitterions Organobromides Organochlorides Organonitrogen compounds Organooxygen compounds
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
4-halobenzoic acid or derivatives - 1,3-benzothiazole - Benzamide - Nitrobenzene - Benzoyl - Nitroaromatic compound - Halobenzene - Chlorobenzene - Aryl bromide - Aryl halide - Aryl chloride - Azole - Heteroaromatic compound - Thiazole - C-nitro compound - Organic nitro compound - Secondary carboxylic acid amide - Carboxamide group - Allyl-type 1,3-dipolar organic compound - Carboxylic acid derivative - Propargyl-type 1,3-dipolar organic compound - Organic oxoazanium - Organic 1,3-dipolar compound - Organoheterocyclic compound - Azacycle - Organic nitrogen compound - Organohalogen compound - Organobromide - Organochloride - Organonitrogen compound - Organooxygen compound - Organic zwitterion - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 4-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 4-position of the benzene ring.
External Descriptors
Not available