Basic information
- CAS
86311-67-3- Standard SMILES
O=[N+]([O-])c1cc2ccc3c(c2o1)CCCC3- InChIKey
DZLOYALXDCQGTA-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- NAPHTHO(1,2-b)FURAN, 6,7,8,9-TETRAHYDRO-2-NITRO-
- IUPAC
- 2-nitro-6,7,8,9-tetrahydrobenzo[g][1]benzofuran
Names & synonyms
NAPHTHO(1,2-b)FURAN, 6,7,8,9-TETRAHYDRO-2-NITRO-86311-67-32-Nitro-6,7,8,9-tetrahydronaphtho(1,2-b)furanR 73342-nitro-6,7,8,9-tetrahydronaphtho[1,2-b]furan6,7,8,9-Tetrahydro-2-nitronaphtho(1,2-b)furanBRN 5040167CHEMBL7261DTXSID90235485
Database identifiers
- CAS
86311-67-3- PubChem CID
- 55489
- DTXSID
DTXSID90235485- ChEMBL
CHEMBL7261- Nikkaji
- J548.008F
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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