| Canonical Smiles | C1=C(C=C(C(=C1Br)O)Br)C(=O)NN |
|---|---|
| IUPAC Name | 3,5-dibromo-4-hydroxybenzohydrazide |
| InChIKey | GXDMLROKVHNPFT-UHFFFAOYSA-N |
| INCHI | 1S/C7H6Br2N2O2/c8-4-1-3(7(13)11-10)2-5(9)6(4)12/h1-2,12H,10H2,(H,11,13) |
| Isomeric SMILES | C1=C(C=C(C(=C1Br)O)Br)C(=O)NN |
| PubChem CID | 19618167 |
| Molecular Weight | 309.94 |
Comprehensive hazard, handling, storage, and regulatory compliance document.
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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 | 3-halobenzoic acids and derivatives |
| Alternative Parents | O-bromophenols Benzoyl derivatives Bromobenzenes Aryl bromides Carboxylic acid hydrazides Organooxygen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homomonocyclic compounds |
| Substituents | 3-halobenzoic acid or derivatives - Benzoyl - 2-halophenol - 2-bromophenol - Bromobenzene - Phenol - Halobenzene - Aryl bromide - Aryl halide - Carboxylic acid hydrazide - Carboxylic acid derivative - Organobromide - Organonitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Organohalogen compound - Aromatic homomonocyclic 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 |
| Molecular Weight | 309.940 g/mol |
|---|---|
| XLogP3 | 1.500 |
| Hydrogen Bond Donor Count | 3 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 1 |
| Exact Mass | 309.878 Da |
| Monoisotopic Mass | 307.88 Da |
| Topological Polar Surface Area | 75.400 Ų |
| Heavy Atom Count | 13 |
| Formal Charge | 0 |
| Complexity | 191.000 |
| 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 | 1 |
