Compound Identification
SMILES
COC1=C(Cl)C=C(C=C1Cl)C(=O)NC(=S)NC1=CC2=C(OC(=N2)C2=C(Br)C=CC(I)=C2)C=C1
InChIKey
InChIKey=KMFAKVXTCNEGPG-UHFFFAOYSA-N
Formula
C22H13BrCl2IN3O3S
Mass
677.13
Taxonomic Classification
Taxonomy Tree
-
Kingdom
Organic compounds
-
Superclass
Benzenoids
-
Class
Benzene and substituted 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
3-halobenzoic acids and derivatives
Alternative Parents
Phenoxy compounds Methoxybenzenes Benzoyl derivatives Anisoles Iodobenzenes Chlorobenzenes Bromobenzenes Alkyl aryl ethers N-acyl amines Oxazoles Heteroaromatic compounds Vinyl iodides Vinyl chlorides Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Iodoalkenes Chloroalkenes Carboxylic acids and derivatives Bromoalkenes Azacyclic compounds Organosulfur compounds Organopnictogen compounds Organonitrogen compounds Organoiodides Organochlorides Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework
Aromatic heteropolycyclic compounds
Substituents
3-halobenzoic acid or derivatives - Phenoxy compound - Methoxybenzene - Phenol ether - Benzoyl - Anisole - Iodobenzene - Halobenzene - Chlorobenzene - Bromobenzene - Alkyl aryl ether - N-acyl-amine - Heteroaromatic compound - Oxazole - Azole - Oxacycle - Azacycle - Iodoalkene - Chloroalkene - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl iodide - Vinyl halide - Vinyl chloride - Vinyl bromide - Ether - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoiodide - Organochloride - Organobromide - Organohalogen compound - Aromatic heteropolycyclic compound
Description
This compound belongs to the class of organic compounds known as 3-halobenzoic acids and derivatives. These are benzoic acids or derivatives carrying a halogen atom at the 3-position of the benzene ring.
External Descriptors
Not available