Benzofuran, 2-nitro-3,5,6-trimethyl-
Basic information
- CAS
27408-70-4- Standard SMILES
Cc1cc2oc([N+](=O)[O-])c(C)c2cc1C- InChIKey
PSGGVEHPNBDJNA-UHFFFAOYSA-N- Molecular formula
- C11H11NO3
- Average molar mass
- 205.21 g/mol
- Monoisotopic mass
- 205.07389321
Names & identifiers
- Preferred name
- Benzofuran, 2-nitro-3,5,6-trimethyl-
- IUPAC
- 3,5,6-trimethyl-2-nitro-1-benzofuran
Names & synonyms
2-Nitro-3,5,6-trimethylbenzofuranBENZOFURAN, 2-NITRO-3,5,6-TRIMETHYL-27408-70-4NSC 170696BRN 4436998Nitro-2 trimethyl-3,5,6 benzofuranne [French]Nitro-2 trimethyl-3,5,6 benzofuranneDTXSID90181832RefChem:326435DTXCID301043233,5,6-Trimethyl-2-nitrobenzofuran2TE9DM7SP5
Show more names
NSC-1706963,5,6-trimethyl-2-nitro-1-benzofuranNSC170696UNII-2TE9DM7SP5Benzofuran, 3,5,6-trimethyl-2-nitro-
Database identifiers
- CAS
27408-70-4- PubChem CID
- 33806
- DTXSID
DTXSID90181832- UNII
- 2TE9DM7SP5
- Nikkaji
- J395.439K
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 263
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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