Basic information
- CAS
18771-85-2- Standard SMILES
O=[N+]([O-])c1cccc2c1no[n+]2[O-]- InChIKey
XUCKCDGEIRMZPM-UHFFFAOYSA-N- Molecular formula
- C6H3N3O4
- Average molar mass
- 181.11 g/mol
- Monoisotopic mass
- 181.01235559
Overview
RN given refers to cpd with locant for nitro moiety in 4 position
Names & identifiers
- Preferred name
- 4-Nitrobenzofuroxan
- IUPAC
- 4-nitro-1-oxido-2,1,3-benzoxadiazol-1-ium
- English name
- 4-Nitro-2,1,3-benzooxadiazole 1-oxide
- Molecular formula
- C6H3N3O4
- Molecular weight
- 181.11
Names & synonyms
Nitrobenzofuroxan4-Nitrobenzofuroxan18771-85-2AI3-62107NitrobenzenefuroxanZ87AM7N8KWB2789NSC-228079DTXSID40172078RefChem:166079DTXCID1094569BENZOFURAZAN, 4-NITRO-, 1-OXIDE
Show more names
B 2789B-27894-Nitrobenzofurazane 1-oxide1-Oxylato-4-nitrobenzofurazane-1-ium2,1,3-Benzoxadiazole, 4-nitro-, 1-oxide
4-nitro-1-oxido-2,1,3-benzoxadiazol-1-iumNSC228079B2789; NSC-228079NSC 228079BRN 0614209Nitrobenzofuroxan, 4-4-Nitro-2,1,3-benzooxadiazole 1-oxideUNII-Z87AM7N8KW
Database identifiers
- CAS
18771-85-2- PubChem CID
- 29244
- DTXSID
DTXSID40172078- UNII
- Z87AM7N8KW
- Nikkaji
- J1.587.871A、J41.238D
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 97.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 218
Physicochemical properties
- FDA UNII
- 87 AM7N8KW · Z87AM7N8KW
Chemistry & industry
Applications
Uses4-Nitrobenzofuroxan is an antiviral compound with HIV-1 inhibitory activity. 4-Nitrobenzofuroxan also exhibits an inhibitory effect on IDO1. The application potential of 4-Nitrobenzofuroxan lies in its ability to be used to inhibit viral infection[1].
Suppliers3 total
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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