Spiro[2H-benzimidazole-2,1'-cyclohexane], 5-nitro-, 1,3-dioxide
Basic information
- CAS
163126-82-7- Standard SMILES
O=[N+]([O-])c1ccc2c(c1)N([O-])C1(CCCCC1)[N+]2=O- InChIKey
AUYXGRJVKAVYEZ-UHFFFAOYSA-N- Molecular formula
- C12H13N3O4
- Average molar mass
- 263.25 g/mol
- Monoisotopic mass
- 263.0906059
Names & identifiers
- Preferred name
- Spiro[2H-benzimidazole-2,1'-cyclohexane], 5-nitro-, 1,3-dioxide
- IUPAC
- 5-nitro-3-oxidospiro[benzimidazol-1-ium-2,1'-cyclohexane] 1-oxide
Names & synonyms
163126-82-7Spiro(2H-benzimidazole-2,1'-cyclohexane), 5-nitro-, 1,3-dioxideSpiro[2H-benzimidazole-2,1'-cyclohexane], 5-nitro-, 1,3-dioxideRefChem:3808465-nitrospiro[benzimidazole-2,1'-cyclohexane] 1,3-dioxideMLS001012377CHEMBL1526036SMR0004269125-Nitro-spiro[benzoimidazole-2,1'-cyclohexane] 1,3-dioxideNSC663945cid_379403BDBM50611
Show more names
HMS2808F105-nitro-3-oxidospiro[benzimidazol-1-ium-2,1'-cyclohexane] 1-oxideBDBM50534852STK837885AKOS005624490NSC-663945SDCCGMLS-0064758.P001NCI60_021967
Database identifiers
- CAS
163126-82-7- PubChem CID
- 379403
- DTXSID
DTXSID701173641- ChEMBL
CHEMBL1526036- Nikkaji
- J3.659.597C
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 402
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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