| Canonical Smiles | C1=CC(=C(C=C1Br)C(=O)O)NN.Cl |
|---|---|
| IUPAC Name | 5-bromo-2-hydrazinylbenzoic acid;hydrochloride |
| InChIKey | GOKHHDKFFMKKIM-UHFFFAOYSA-N |
| INCHI | 1S/C7H7BrN2O2.ClH/c8-4-1-2-6(10-9)5(3-4)7(11)12;/h1-3,10H,9H2,(H,11,12);1H |
| Isomeric SMILES | C1=CC(=C(C=C1Br)C(=O)O)NN.Cl |
| PubChem CID | 53418411 |
| Molecular Weight | 267.51 |
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View spec sheet →Taxonomy Tree
| 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 | 3-halobenzoic acids Benzoic acids Phenylhydrazines Benzoyl derivatives Bromobenzenes Aryl bromides Vinylogous amides Carboxylic acids Organopnictogen compounds Organooxygen compounds Organobromides Organic oxides Hydrochlorides Hydrocarbon derivatives Hydrazines and derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | Halobenzoic acid - 3-halobenzoic acid - 3-halobenzoic acid or derivatives - Benzoic acid - Benzoyl - Phenylhydrazine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Vinylogous amide - Carboxylic acid derivative - Carboxylic acid - Organobromide - Organohalogen compound - Hydrazine derivative - Hydrochloride - Organic nitrogen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organonitrogen compound - Organooxygen 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 |
| Molecular Weight | 267.510 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 4 |
| Hydrogen Bond Acceptor Count | 4 |
| Rotatable Bond Count | 2 |
| Exact Mass | 265.946 Da |
| Monoisotopic Mass | 265.946 Da |
| Topological Polar Surface Area | 75.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 177.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
