Compound Identification
SMILES
CC1=C(Br)C=CC(=C1)C(=O)[NH2+][CH2-]
InChIKey
InChIKey=XGKHTOQFKRGAQZ-UHFFFAOYSA-N
Formula
C9H10BrNO
Mass
228.089
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
m-Toluamides Benzoyl derivatives Bromobenzenes Aryl bromides Quaternary ammonium salts Secondary carboxylic acid amides Primary carboxylic acid amides Organooxygen compounds Organobromides Organic zwitterions Organic salts Organic oxides Hydrocarbon derivatives Ammonium ylides
Molecular Framework
Aromatic homomonocyclic compounds
Substituents
4-halobenzoic acid or derivatives - M-toluamide - Toluamide - Benzoyl - Bromobenzene - Halobenzene - Toluene - Aryl bromide - Aryl halide - Quaternary ammonium salt - Secondary carboxylic acid amide - Primary carboxylic acid amide - Carboxylic acid derivative - Organic zwitterion - Organooxygen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organic salt - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Ammonium ylide - Aromatic homomonocyclic 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