Basic information
- CAS
86295-46-7- Standard SMILES
O=[N+]([O-])c1cc2c3c(ccc2o1)CCCC3- InChIKey
RTIBSZJWPUJBBY-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- NAPHTHO(2,1-b)FURAN, 6,7,8,9-TETRAHYDRO-2-NITRO-
- IUPAC
- 2-nitro-6,7,8,9-tetrahydrobenzo[e][1]benzofuran
Names & synonyms
NAPHTHO(2,1-b)FURAN, 6,7,8,9-TETRAHYDRO-2-NITRO-86295-46-72-Nitro-6,7,8,9-tetrahydronaphtho(2,1-b)furan2-Nitro-6,7,8,9-tetrahydronaphtho[2,1-b]furanR 7325BRN 50299186,7,8,9-Tetrahydro-2-nitronaphtho(2,1-b)furanCHEMBL7374DTXSID60235477
Database identifiers
- CAS
86295-46-7- PubChem CID
- 55484
- DTXSID
DTXSID60235477- ChEMBL
CHEMBL7374- Nikkaji
- J213.708I
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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