Basic information
- CAS
86295-60-5- Standard SMILES
Cc1c([N+](=O)[O-])oc2ccc3c(c12)CCCC3- InChIKey
RKCBTNNHWOLVNR-UHFFFAOYSA-N- Molecular formula
- C13H13NO3
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.08954328
Names & identifiers
- Preferred name
- NAPHTHO(2,1-b)FURAN, 6,7,8,9-TETRAHYDRO-1-METHYL-2-NITRO-
- IUPAC
- 1-methyl-2-nitro-6,7,8,9-tetrahydrobenzo[e][1]benzofuran
Names & synonyms
NAPHTHO(2,1-b)FURAN, 6,7,8,9-TETRAHYDRO-1-METHYL-2-NITRO-86295-60-51-Methyl-2-nitro-6,7,8,9-tetrahydronaphtho(2,1-b)furanR 7370BRN 50502821-Methyl-2-nitro-6,7,8,9-tetrahydronaphtho[2,1-b]furan6,7,8,9-Tetrahydro-1-methyl-2-nitronaphtho(2,1-b)furanCHEMBL7159DTXSID80235479
Database identifiers
- CAS
86295-60-5- PubChem CID
- 55486
- DTXSID
DTXSID80235479- ChEMBL
CHEMBL7159- Nikkaji
- J548.005A
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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