Pyridinium 3-Nitrobenzenesulfonate

• Catalog Number: ACM84752614
• Product Name: Pyridinium 3-Nitrobenzenesulfonate
• CAS: 84752-61-4
• Category: Heterocyclic Organic Compound
• Synonyms: SCHEMBL718311; ANW-37833; P0941; AKOS015833386; Pyridinium 3-nitrobenzenesulfonate; CTK3E6393
• IUPAC Name: 3-nitrobenzenesulfonate;pyridin-1-ium
• Molecular Weight: 282.27g/mol
• Molecular Formula: C11H10N2O5S
• Canonical SMILES: C1=CC=[NH+]C=C1.C1=CC(=CC(=C1)S(=O)(=O)[O-])[N+](=O)[O-]
• InChI: InChI=1S/C6H5NO5S.C5H5N/c8-7(9)5-2-1-3-6(4-5)13(10,11)12;1-2-4-6-5-3-1/h1-4H,(H,10,11,12);1-5H
• InChI Key: WZZFZXZRKPNZOC-UHFFFAOYSA-N
• Complexity: 305
• Covalently-Bonded Unit Count: 2
• Exact Mass: 282.031g/mol
• H-Bond Acceptor: 5
• H-Bond Donor: 1
• Heavy Atom Count: 19
• Monoisotopic Mass: 282.031g/mol
• Topological Polar Surface Area: 126A^2