Determine the necessary mass, volume, or concentration for preparing a solution.
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| SKU | Size | Availability |
Price | Qty |
|---|---|---|---|---|
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B694382-100mg
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100mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
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$210.90
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B694382-250mg
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250mg |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$418.90
|
|
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B694382-1g
|
1g |
Available within 8-12 weeks(?)
Production requires sourcing of materials. We appreciate your patience and understanding.
|
$1,250.90
|
|
| Specifications & Purity | ≥95% |
|---|
Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Naphthalenes |
| Subclass | Naphthalenecarboxylic acids and derivatives |
| Intermediate Tree Nodes | Naphthalenecarboxamides |
| Direct Parent | Naphthalene-2-carboxanilides |
| Alternative Parents | Aromatic anilides Naphthols and derivatives Salicylic acid and derivatives Methoxyanilines Phenoxy compounds Anisoles Methoxybenzenes 1-hydroxy-2-unsubstituted benzenoids Alkyl aryl ethers Aryl bromides Vinylogous acids Secondary carboxylic acid amides Organobromides Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Organic oxides |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Naphthalene-2-carboxanilide - Aromatic anilide - 2-naphthol - Salicylic acid or derivatives - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Methoxybenzene - Alkyl aryl ether - 1-hydroxy-2-unsubstituted benzenoid - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Vinylogous acid - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Ether - Organonitrogen compound - Organic oxygen compound - Organic nitrogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organohalogen compound - Organobromide - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as naphthalene-2-carboxanilides. These are naphthalene-2-carboxamides, where the carboxamide group is substituted with an aniline. |
| External Descriptors | Not available |
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| IUPAC Name | 7-bromo-3-hydroxy-N-(2-methoxyphenyl)naphthalene-2-carboxamide |
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| INCHI | InChI=1S/C18H14BrNO3/c1-23-17-5-3-2-4-15(17)20-18(22)14-9-12-8-13(19)7-6-11(12)10-16(14)21/h2-10,21H,1H3,(H,20,22) |
| InChIKey | JIEINYQEXWLMCU-UHFFFAOYSA-N |
| Smiles | COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)O |
| Isomeric SMILES | COC1=CC=CC=C1NC(=O)C2=C(C=C3C=CC(=CC3=C2)Br)O |
| Alternate CAS | 1237-75-8 |
| PubChem CID | 71060 |
| NSC Number | 367089 |
| Molecular Weight | 372.200 g/mol |
|---|---|
| XLogP3 | 4.900 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 3 |
| Rotatable Bond Count | 3 |
| Exact Mass | 371.016 Da |
| Monoisotopic Mass | 371.016 Da |
| Topological Polar Surface Area | 58.600 Ų |
| Heavy Atom Count | 23 |
| Formal Charge | 0 |
| Complexity | 419.000 |
| 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 |