CAS 1000018-50-7
:5-(Hexahydro-1H-azepin-1-yl)-2-nitrobenzoic acid
Description:
5-(Hexahydro-1H-azepin-1-yl)-2-nitrobenzoic acid is a chemical compound characterized by its unique structure, which includes a nitro group and a hexahydroazepine moiety. This compound typically exhibits properties associated with both aromatic and aliphatic systems, contributing to its potential reactivity and solubility characteristics. The presence of the nitro group suggests that it may participate in electrophilic substitution reactions, while the hexahydroazepine ring can influence its steric and electronic properties. As a benzoic acid derivative, it may also exhibit acidic behavior, allowing it to participate in acid-base reactions. The compound's molecular structure may confer specific biological activities, making it of interest in medicinal chemistry and pharmacology. Additionally, its CAS number, 1000018-50-7, allows for easy identification and retrieval of information regarding its safety, handling, and regulatory status. Overall, this compound's unique combination of functional groups and structural features makes it a subject of interest in various chemical research fields.
Formula:C13H16N2O4
InChI:InChI=1S/C13H16N2O4/c16-13(17)11-9-10(5-6-12(11)15(18)19)14-7-3-1-2-4-8-14/h5-6,9H,1-4,7-8H2,(H,16,17)
InChI key:InChIKey=PWQLQASFACMTGY-UHFFFAOYSA-N
SMILES:C(O)(=O)C=1C=C(C=CC1N(=O)=O)N2CCCCCC2
Synonyms:- Benzoic acid, 5-(hexahydro-1H-azepin-1-yl)-2-nitro-
- 5-(Hexahydro-1H-azepin-1-yl)-2-nitrobenzoic acid
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