Basic information
- CAS
18378-23-9- Standard SMILES
O=[N+]([O-])c1c(N2CCCCC2)ccc2nonc12- InChIKey
CFHXBWIKVJEUGP-UHFFFAOYSA-N- Molecular formula
- C11H12N4O3
- Average molar mass
- 248.24 g/mol
- Monoisotopic mass
- 248.09094026
Names & identifiers
- Preferred name
- 4-Nitro-5-piperidin-1-yl-2,1,3-benzoxadiazole
- IUPAC
- 4-nitro-5-piperidin-1-yl-2,1,3-benzoxadiazole
Names & synonyms
18378-23-94-Nitro-5-(1-piperidinyl)-2,1,3-benzoxadiazole4-nitro-5-(piperidin-1-yl)-2,1,3-benzoxadiazole4-nitro-5-piperidin-1-yl-2,1,3-benzoxadiazoleOprea1_104717DTXSID101248763AKOS000605856ST50007964ST500302564-nitro-5-piperidylbenzo[c]1,2,5-oxadiazoleAB00076416-014-nitro-5-(piperidin-1-yl)benzo[c][1,2,5]oxadiazole
Database identifiers
- CAS
18378-23-9- PubChem CID
- 2836614
- DTXSID
DTXSID101248763
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 316
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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